data_3lri_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 3lri _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 18' ' ' LEU . . . . . 0.48 ' CD2' HG21 ' A' ' 57' ' ' VAL . 5.0 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -101.28 21.16 14.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.03 144.67 17.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -60.13 -12.18 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -64.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 5.8 mt -48.54 -27.04 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.599 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.59 -46.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -66.94 -16.51 64.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.694 ' CB ' ' CD2' ' A' ' 70' ' ' LEU . . . -70.07 -57.97 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 70' ' ' LEU . 1.9 mp -53.07 -40.8 64.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 1.055 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -83.15 -13.7 55.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.671 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -67.7 -35.62 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 29' ' ' PHE . 1.3 t -95.7 -27.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -26.76 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 1.055 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 160.71 104.44 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.8 t70 -38.41 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 32' ' ' GLY . 6.1 mmp_? -32.41 -31.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 102.05 127.91 6.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 57.3 t80 -117.81 177.7 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.656 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -102.72 -138.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.756 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 13.1 m-85 -146.38 -115.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CG ' ' SG ' ' A' ' 52' ' ' CYS . 5.5 t30 -82.59 83.01 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' CD ' ' HB3' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.72 104.83 41.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.5 Cg_endo -74.95 49.05 2.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 41' ' ' PRO . 24.4 m -38.26 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.73 -74.81 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 2.2 t80 -155.02 138.49 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -34.1 -72.33 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -86.28 61.5 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 0.778 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 1.3 t -170.15 64.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.9 m -162.35 153.55 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ALA . 49.8 mtm180 -38.34 114.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.84 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . . . -160.22 -143.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER 67.14 -72.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.325 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -37.05 -28.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.636 ' O ' ' C ' ' A' ' 55' ' ' GLY . 1.3 m -81.34 33.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.839 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.97 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.756 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -57.65 -6.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.628 HG12 ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.43 -48.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -89.22 -27.56 20.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.839 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -88.8 -23.58 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 4.4 m -81.56 -42.14 20.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -32.09 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -90.19 -47.5 7.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' SER . 11.2 ttt180 -102.96 92.72 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.0 m -26.4 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -125.78 97.19 5.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.2 m-20 -60.64 -137.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.648 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -95.94 -12.62 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -59.69 -41.19 90.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -69.16 -56.2 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.694 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 2.1 pp -46.21 -34.28 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.23 -32.88 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.9 mmt -64.74 -54.34 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.155 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -65.55 -16.53 63.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.726 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -4.36 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.155 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.42 148.54 83.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 19.61 6.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 131.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.769 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -91.44 -1.53 57.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.682 ' O ' ' N ' ' A' ' 25' ' ' ASP . 5.5 tt0 -75.76 -55.36 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 65.5 mt -28.85 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -76.99 -45.97 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 22' ' ' GLU . 4.9 t0 -66.87 -23.49 66.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.86 -61.49 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.907 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.07 -19.53 65.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.592 ' CD ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.32 -8.56 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CE2' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -102.04 -45.71 5.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.615 ' CG2' ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -96.52 -38.73 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.907 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -74.26 -27.83 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 108.303 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.824 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 117.23 125.92 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 111.055 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -27.79 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.824 ' N ' ' O ' ' A' ' 32' ' ' GLY . 23.6 mtm-85 -46.06 -22.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 68.92 140.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 37' ' ' TYR . 2.4 t80 -101.37 164.41 11.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.607 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -80.72 85.02 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.737 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -31.21 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -103.17 -149.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -69.2 160.88 76.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.355 1.035 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.575 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.97 77.99 2.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' PRO . 2.6 m -38.99 170.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -33.43 93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 5.2 t80 -157.01 136.84 12.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -37.26 -28.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.9 t -89.47 70.52 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.66 72.3 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -79.78 119.34 22.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -35.84 109.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 ptt180 -35.23 110.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.91 23.73 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 13.2 m -129.25 29.1 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -45.19 -21.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -80.53 33.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.44 89.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.737 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -50.0 -6.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.694 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -110.17 -39.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -94.64 -39.26 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -81.58 -22.91 37.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.34 -40.55 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 1.5 m -57.57 -37.31 72.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -78.69 -39.76 35.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' CYS . 50.8 ttt-85 -105.65 91.5 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.9 m -35.87 94.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.543 ' O ' ' O ' ' A' ' 66' ' ' ASP . 7.7 p -135.53 94.34 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 65' ' ' CYS . 56.7 m-20 -48.25 -106.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 2.7 mp -94.87 -25.95 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.183 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 9.1 mtp180 -37.61 -42.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' HD3' ' CB ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -68.21 -46.66 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -42.92 -39.59 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.29 -30.27 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.285 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -96.21 -13.55 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -35.64 50.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.285 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -77.48 160.03 75.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -89.85 19.33 4.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 50.73 171.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 24' ' ' VAL . . . -92.1 2.12 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ALA . 33.0 tt0 -36.75 -69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -53.17 -24.29 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.622 ' N ' ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.68 -36.69 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' N ' HG11 ' A' ' 24' ' ' VAL . 2.3 m-20 -73.98 -30.51 62.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.559 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -56.99 -53.24 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.91 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 1.4 mp -67.74 -29.68 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.67 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.08 -8.36 56.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -96.34 -53.08 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 t -95.42 -36.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.91 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -72.01 -28.52 63.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.819 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 116.94 124.43 3.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.67 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -28.44 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.819 ' N ' ' O ' ' A' ' 32' ' ' GLY . 20.0 mmt-85 -50.4 -20.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.559 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.5 141.71 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CG ' ' A' ' 73' ' ' TYR . 4.1 t80 -92.13 157.47 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 0.728 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -71.37 56.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.748 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -8.44 -66.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -103.71 158.93 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -63.77 175.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.04 73.96 4.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -35.91 156.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.57 -90.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.56 -165.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -36.93 -86.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -86.16 64.13 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.49 77.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 64.94 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' ALA . 4.4 mmp_? -48.17 98.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.6 mtm180 -35.6 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -127.47 3.22 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 p -86.18 49.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.01 -53.56 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -94.27 27.12 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.827 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.11 91.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.748 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -55.02 -9.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.691 HG12 ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -114.35 -39.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -90.59 -35.53 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tt0 -86.18 -20.8 28.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 9.0 t -87.22 -43.1 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 108.265 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -61.55 -39.09 89.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -81.68 -44.1 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.9 ttp180 -107.26 94.05 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' ARG . 3.3 m -33.9 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -120.65 101.15 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.0 m-20 -57.06 -131.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.605 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.2 -19.12 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -34.77 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.549 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -70.93 -49.16 48.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.605 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -44.5 -37.54 3.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 -26.44 32.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.6 mmt -64.51 -48.6 74.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.685 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -81.8 -21.87 37.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -29.28 47.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' CYS . . . -38.14 98.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 HD11 ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -100.3 19.81 15.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 42.18 101.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.774 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -53.82 -16.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 7.4 tt0 -45.92 -23.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 61.5 mt -63.7 -36.99 85.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.774 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -82.29 -42.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 1.6 m-20 -73.97 -10.65 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -80.39 -59.06 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.694 ' CD2' ' HA ' ' A' ' 70' ' ' LEU . 1.1 mp -51.22 -45.69 62.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -81.34 -15.51 55.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.347 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.67 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -62.94 -36.82 84.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.617 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 41.9 t -99.81 -23.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -25.33 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.366 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.92 109.81 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.168 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.37 33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.806 ' H ' ' C ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -101.96 -6.69 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 92.42 127.91 4.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 77.5 t80 -112.15 179.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -100.01 -152.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.719 ' CD1' HG23 ' A' ' 56' ' ' ILE . 15.2 m-30 -145.96 -116.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 1.2 t30 -93.08 93.99 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 135.59 19.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.05 85.68 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.557 ' O ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -37.3 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.499 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -38.83 -102.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.564 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -87.05 -162.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.29 66.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.4 t -79.08 68.44 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -73.73 71.34 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ARG . 62.9 m -109.32 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.28 114.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.98 101.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -133.5 71.23 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' THR . 2.0 p 161.02 -53.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.328 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -40.99 -23.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.647 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -81.05 35.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -10.9 90.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.719 HG23 ' CD1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -59.58 -8.03 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.657 ' CG2' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -113.86 -43.91 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 2.9 t70 -91.04 -27.72 18.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -91.29 -23.0 20.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -84.5 -42.54 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.63 -37.72 73.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 18.7 t80 -86.63 -50.38 6.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.555 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -105.4 91.48 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 63' ' ' ARG . 33.9 p -25.4 95.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.703 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -129.82 95.94 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.379 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.6 m-20 -62.04 -131.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -90.23 -17.13 28.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mmt180 -37.07 -43.57 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.14 -42.27 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.694 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -43.67 -42.62 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.98 -39.34 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -51.06 63.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.348 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -82.07 -24.48 35.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.695 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -10.55 48.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 108.324 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.348 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -71.3 162.43 72.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 HD23 ' N ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' O ' HG13 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -104.46 28.33 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.657 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -129.5 -1.66 5.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.737 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -100.3 -19.55 16.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.5 tp10 -84.77 -76.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -43.26 -26.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.737 HG12 ' HA ' ' A' ' 21' ' ' ALA . 3.7 p -73.79 -44.21 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.6 m-20 -69.32 -25.6 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -62.22 -57.93 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.912 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.8 -27.32 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.574 ' HG3' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -78.05 -11.56 59.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -98.11 -43.77 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -99.29 -41.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.912 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.64 -28.52 67.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.786 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 121.99 125.11 3.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.568 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 5.8 m-20 -28.3 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.786 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.0 mmp_? -48.81 -20.25 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.574 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 69.06 135.9 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CZ ' ' O ' ' A' ' 73' ' ' TYR . 15.0 t80 -107.01 125.19 50.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.702 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -55.34 114.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.786 ' CE2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -48.14 -98.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -105.83 -171.42 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 166.42 12.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.0 91.26 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -38.72 166.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.56 -91.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -147.9 -169.82 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.37 -83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -89.36 70.1 8.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -164.08 114.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 14.5 m -130.89 134.96 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -157.61 162.03 38.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -35.79 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -145.94 -59.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.498 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 20.3 p -86.45 68.99 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.5 -72.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.639 ' HB ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -98.18 24.65 6.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.18 93.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.752 HG21 ' CD1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.46 -7.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.786 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -112.61 -45.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -91.47 -31.23 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -86.01 -21.92 27.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.724 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 5.7 t -84.05 -56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.75 67.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -78.74 -42.01 29.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 10.2 ttt85 -111.69 94.81 5.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -31.69 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.724 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 0.6 OUTLIER -126.35 99.99 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.5 m-20 -55.04 -128.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 2.8 mt -92.18 -29.66 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -44.2 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' MET . 7.4 mmt-85 -66.34 -43.7 85.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 110.246 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.564 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -45.9 -39.19 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' CG ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -80.41 -29.53 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.3 mmt -59.75 -47.1 87.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.172 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -83.66 -17.17 42.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -43.82 48.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.365 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.172 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -47.98 175.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 75' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 23.7 t -101.81 -101.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.59 145.33 5.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.557 1.16 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.804 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -91.94 -3.03 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 0.794 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 tp10 -76.91 -51.22 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 ' CD2' ' SG ' ' A' ' 60' ' ' CYS . 80.8 mt -33.06 -42.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.804 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -76.9 -50.63 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -67.09 -10.74 53.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -76.8 -61.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.597 ' CD1' HG23 ' A' ' 56' ' ' ILE . 1.3 mp -49.28 -41.81 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 1.033 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -82.32 -14.56 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.759 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -64.69 -37.33 87.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.638 ' CG2' ' CE2' ' A' ' 29' ' ' PHE . 69.0 t -97.64 -24.54 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.78 -27.5 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 1.033 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.24 109.11 0.24 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.793 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.808 ' H ' ' C ' ' A' ' 32' ' ' GLY . 14.7 ptp180 -96.64 -7.52 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' C ' ' CG ' ' A' ' 28' ' ' GLN . . . 95.2 122.57 3.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 40.8 t80 -113.67 175.24 5.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 0.776 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -91.96 -131.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.742 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 5.0 m-85 -162.17 -110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 158.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -49.5 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 72.16 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.7 m -34.68 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.63 81.13 0.0 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.73 ' N ' ' O ' ' A' ' 42' ' ' THR . 2.0 t80 -154.76 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.48 -39.89 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -97.88 74.41 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 t -73.77 71.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -126.07 163.5 22.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.73 110.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ARG . 10.5 ptt180 -35.76 111.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 53' ' ' GLN . . . -39.47 -54.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 40.83 29.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.258 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt0 -41.78 -54.83 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.611 ' O ' ' CG2' ' A' ' 54' ' ' THR . 1.1 m -91.69 25.8 2.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.818 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.38 87.48 0.0 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.174 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.742 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.81 -5.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 0.811 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.656 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -106.89 -47.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 4.2 t0 -94.72 -31.66 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.818 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -84.1 -25.58 29.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.564 ' SG ' ' CD2' ' A' ' 23' ' ' LEU . 1.8 t -86.6 -46.29 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' SG ' HD13 ' A' ' 23' ' ' LEU . 1.2 m -58.68 -35.59 72.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 58' ' ' ASP . 5.8 m-85 -87.86 -41.29 13.33 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -104.93 92.66 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 64.7 m -36.05 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.066 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.642 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -124.87 100.79 6.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.336 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -53.61 -132.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.756 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 4.6 pp -93.74 -13.8 27.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -50.04 -44.06 51.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -71.94 -56.77 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 67' ' ' LEU . 1.3 pp -44.46 -34.95 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.51 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -56.68 -51.15 69.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.237 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -84.86 -16.11 42.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.694 ' C ' ' O ' ' A' ' 73' ' ' TYR . 2.3 t -15.47 55.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.237 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -70.0 137.85 87.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 75' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -101.57 16.77 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.327 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 59.75 137.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.67 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -97.92 -3.25 38.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.824 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.771 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -58.41 -55.26 37.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.847 HD22 ' H ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -28.33 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.847 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.1 p -87.41 -34.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -77.45 -14.24 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.77 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -84.75 -56.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.653 HD13 ' CG2' ' A' ' 56' ' ' ILE . 1.4 mt -53.61 -49.84 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.945 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -61.72 -44.43 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.696 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -40.43 -49.27 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.577 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -99.58 -53.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.585 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.13 -26.61 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 108.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.945 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 158.18 111.52 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.654 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.87 28.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.75 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -116.75 13.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 28' ' ' GLN . . . 88.76 125.47 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.387 1.054 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE2' HD21 ' A' ' 27' ' ' LEU . 40.8 t80 -105.37 148.29 27.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -100.96 119.87 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE1' HG23 ' A' ' 56' ' ' ILE . 20.4 m-30 -58.94 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.557 ' CA ' ' HB ' ' A' ' 54' ' ' THR . 3.4 t-20 -67.72 -162.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -100.52 178.72 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.8 m -34.42 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.75 89.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -158.03 134.05 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.94 -28.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.4 t -92.44 72.79 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -72.98 71.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ARG . 27.2 m -94.96 119.94 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -37.13 109.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.54 110.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -39.88 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.6 t 153.03 -22.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.657 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -32.87 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.557 ' HB ' ' CA ' ' A' ' 39' ' ' ASN . 1.7 t -66.9 28.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.657 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -73.75 3.65 33.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.689 HG23 ' CE1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -69.29 -12.94 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.624 HG12 ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -114.84 -37.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -90.59 -34.65 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.652 ' CB ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tt0 -89.74 -20.2 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 5.3 t -85.65 -40.13 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.9 m -68.73 -38.12 79.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.99 -49.01 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -105.04 93.13 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.3 m -29.51 107.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.914 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.06 94.69 4.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.1 m-20 -57.86 -132.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.86 -17.52 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -55.44 -48.6 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -57.41 -51.1 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.26 -37.18 4.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -32.92 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' ARG . 2.5 mmt -63.27 -57.88 9.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.225 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.8 t80 -81.17 -28.28 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 4.5 t -3.35 48.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.225 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -38.2 98.73 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -86.85 23.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.6 ' HA2' HD23 ' A' ' 23' ' ' LEU . . . -131.93 9.1 5.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.615 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -96.56 -17.98 20.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 tt0 -85.96 -70.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.805 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -38.41 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.803 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 p -75.99 -48.56 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.11 -33.05 70.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -60.6 -55.96 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.89 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -69.35 -33.4 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -74.32 -5.2 40.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -92.41 -59.45 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 29' ' ' PHE . 3.2 t -99.7 -29.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.89 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.939 ' C ' ' H ' ' A' ' 34' ' ' ARG . . . 123.06 121.16 2.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.58 ' HA ' ' CG ' ' A' ' 28' ' ' GLN . 22.0 m-20 -51.48 26.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.939 ' H ' ' C ' ' A' ' 32' ' ' GLY . 20.6 ptp180 -101.51 -13.05 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 28' ' ' GLN . . . 79.62 128.44 0.66 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.774 ' CE1' ' O ' ' A' ' 37' ' ' TYR . 8.0 t80 -108.54 158.2 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.774 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 1.9 m-85 -71.18 103.9 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 m-30 -75.38 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.553 ' OD1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -75.21 -176.09 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.517 ' CE ' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -101.52 177.96 1.36 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 75.57 3.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 44' ' ' TYR . 55.2 m -36.27 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.78 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -158.01 132.38 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.999 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.88 -27.69 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.6 t -90.99 71.31 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -74.61 72.25 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ARG . 6.8 m -110.48 167.74 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.15 105.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ARG . 37.9 mtp180 -35.83 113.17 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.517 ' CB ' ' CE ' ' A' ' 40' ' ' LYS . . . -39.35 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -70.33 64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 108.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' ALA . 1.5 tt0 -37.2 -34.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.641 ' O ' ' CG2' ' A' ' 54' ' ' THR . 1.1 m -89.65 36.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.82 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -23.4 92.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.805 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.78 -11.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.793 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.4 -40.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 1.3 m-20 -87.93 -31.97 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.82 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -90.34 -24.13 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.695 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 49.8 t -76.98 -48.95 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m -68.06 -35.24 77.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 68.6 t80 -82.09 -37.66 26.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.69 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -109.61 110.9 22.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.69 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.9 m -6.11 114.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.76 93.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 68' ' ' ARG . 2.0 t0 -117.05 117.02 28.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.612 ' CD1' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -28.55 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.634 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -43.77 -28.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -71.43 -56.8 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -41.35 -36.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.355 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -34.05 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -61.12 -52.3 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.211 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -82.79 -17.97 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -40.41 50.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.408 1.067 . . . . 0.0 108.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.211 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -58.1 157.16 17.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' HG13 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.02 22.7 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.608 ' O ' ' CG1' ' A' ' 57' ' ' VAL . . . -109.23 -100.31 2.63 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.507 1.129 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -49.43 -13.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.511 ' N ' ' C ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER -55.26 -77.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.752 ' CG ' ' O ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -43.54 -23.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.688 HG22 ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -66.75 -47.65 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -66.96 -20.57 65.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . . . -64.29 -60.2 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 1.4 mp -53.01 -40.14 63.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 1.059 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -84.33 -13.86 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.702 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.74 -30.96 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.702 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 99.0 t -96.8 -29.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -28.47 17.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 1.059 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 163.27 104.54 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.8 p-10 -37.74 -24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mtt-85 -32.12 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 99.2 127.22 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 16.7 t80 -119.13 175.57 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.676 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 1.3 t80 -91.94 -137.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.715 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 9.4 m-85 -146.41 -114.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.516 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -99.04 -91.92 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 2.1 mttt -101.75 174.85 2.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.0 -35.29 3.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.502 ' OG1' ' O ' ' A' ' 41' ' ' PRO . 94.5 m -162.0 177.83 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -56.32 -139.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 3.8 t80 -155.32 133.69 11.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -36.72 -70.08 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.82 68.13 9.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 44' ' ' TYR . 46.1 m -167.33 116.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -118.35 63.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 50' ' ' ARG . 5.1 mtm105 -166.11 166.83 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' ARG . 12.3 mmt85 -34.25 114.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' ARG . . . -38.27 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -98.48 108.12 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.225 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -36.62 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.718 ' O ' ' N ' ' A' ' 56' ' ' ILE . 1.5 m -85.51 34.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.845 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -44.76 78.21 0.0 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.752 ' O ' ' CG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -60.14 -3.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.608 ' CG1' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -113.44 -47.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.59 -25.06 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.845 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.89 -18.79 22.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.207 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 56' ' ' ILE . 4.3 m -94.25 -35.69 12.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.01 -39.59 61.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.243 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.92 -51.63 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.625 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -111.77 101.96 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.625 ' C ' ' O ' ' A' ' 63' ' ' ARG . 30.7 m -18.14 118.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -113.4 82.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.253 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -39.45 109.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.679 ' HA ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -26.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.739 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -47.98 -33.45 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.69 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -70.95 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.679 ' CD2' ' HA ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -36.42 -35.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -71.38 -40.34 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.69 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.35 -57.53 8.66 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.157 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -57.84 -12.64 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -4.76 53.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 108.32 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.157 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.43 153.69 85.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.933 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -95.95 17.1 16.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 59.54 142.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.91 -1.26 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.739 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.7 tt0 -70.68 -56.82 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 81.9 mt -29.8 -44.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 21' ' ' ALA . 2.4 p -75.81 -42.62 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t70 -68.38 -28.03 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.82 -58.25 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.947 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 1.2 mp -61.36 -32.99 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.621 ' CD ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.7 -8.34 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.679 ' CZ ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -91.15 -52.86 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.679 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 t -101.27 -37.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.947 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -65.53 -26.79 68.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 108.272 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 118.24 125.03 3.45 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.621 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -32.69 -23.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 0.757 . . . . 0.0 109.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 ptp180 -53.9 -19.06 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.542 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 71.71 141.57 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.429 1.081 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CG ' HD22 ' A' ' 27' ' ' LEU . 62.0 t80 -100.28 148.86 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -73.9 81.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.768 ' CE2' ' CG1' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -24.65 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -100.88 -179.49 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -100.04 175.62 2.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.02 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -37.37 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 42' ' ' THR . . . -36.13 91.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.1 t80 -152.57 -174.04 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.47 9.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 50' ' ' ARG . 7.5 t -97.52 74.53 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -72.73 70.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -151.06 163.68 38.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 110.052 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' SER . 4.9 ptm180 -167.94 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 110.22 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.84 22.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 20.7 p 179.77 52.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -62.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.719 ' CG2' ' CG ' ' A' ' 73' ' ' TYR . 15.3 t -96.68 26.6 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.846 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -14.52 92.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.756 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -61.32 -9.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.768 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -109.49 -41.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.6 -35.28 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.846 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tm-20 -83.06 -24.22 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.9 -41.03 11.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 108.34 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.582 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 1.8 m -57.61 -38.31 74.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.58 -40.64 41.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -107.32 92.03 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -37.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 66' ' ' ASP . 5.6 p -133.56 95.9 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.4 m-20 -45.6 -105.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.3 pp -96.61 -29.14 14.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.19 -39.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.384 1.053 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.507 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -72.0 -45.21 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.22 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.74 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -43.15 -40.27 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.5 pt-20 -83.84 -26.17 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 69' ' ' ARG . 4.8 mmt -63.63 -48.45 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CG ' ' CG2' ' A' ' 54' ' ' THR . 0.6 OUTLIER -92.65 -26.55 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -18.55 46.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 108.346 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.475 ' N ' ' CE1' ' A' ' 36' ' ' PHE . . . -67.07 155.33 90.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.212 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -89.09 15.83 8.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 23' ' ' LEU . . . 96.47 139.54 10.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.799 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -97.87 0.21 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 29.8 tt0 -71.32 -53.93 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.713 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -27.03 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.58 1.175 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -82.31 -47.61 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.641 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.36 -11.03 56.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -81.48 -55.5 4.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 1.3 mt -49.33 -45.52 45.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.5 tp60 -81.43 -18.97 43.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.814 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -59.04 -36.33 74.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.56 -26.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -25.01 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 164.9 109.85 0.23 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.23 34.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.842 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -102.13 -6.82 22.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 88.31 121.75 1.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.709 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 1.6 t80 -118.39 137.06 53.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.709 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -62.98 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.665 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 74.9 m-85 -146.73 -116.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.468 ' CB ' HG21 ' A' ' 54' ' ' THR . 33.3 t30 -62.79 150.07 42.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -100.04 160.75 26.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.02 -25.49 11.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.464 ' CB ' ' HG3' ' A' ' 40' ' ' LYS . 6.6 m -36.08 -33.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . -35.42 136.26 0.4 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.427 1.08 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -154.57 131.82 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.34 0.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 67.69 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -163.99 114.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -88.89 113.27 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -163.56 99.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -35.82 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.03 81.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -144.58 -49.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.276 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.703 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.6 tt0 -33.16 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.632 ' OG1' ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.28 25.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.888 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -86.83 16.09 48.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.35 -7.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.597 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -106.22 -52.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -92.44 -25.55 18.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 55' ' ' GLY . 18.6 tt0 -89.21 -23.78 22.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t -86.83 -38.57 16.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -33.97 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.252 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -91.38 -50.44 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -106.03 95.19 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 63' ' ' ARG . 11.0 m -31.42 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -108.71 100.18 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.261 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.613 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -55.33 -133.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -101.71 -9.15 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -69.07 -35.79 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -67.94 -70.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.854 ' CD2' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.41 -20.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.694 ' N ' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -79.14 -29.79 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.5 mmt -67.77 -57.22 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.253 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.1 t80 -57.9 -18.04 20.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.722 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -8.09 51.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.253 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -72.94 145.03 86.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' ' N ' ' A' ' 20' ' ' GLY . 2.0 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 32.0 p -63.1 -6.42 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 108.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.568 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -69.66 48.53 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -101.74 -18.49 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 25' ' ' ASP . 6.0 tt0 -84.48 -64.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.903 ' HG ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -37.41 -34.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 1.372 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -78.29 -41.86 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.637 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -71.48 -26.48 62.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.49 -53.92 35.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.916 HD11 ' CE1' ' A' ' 38' ' ' PHE . 2.6 mt -71.15 -40.18 71.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' ' HA ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -71.36 -6.62 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.658 ' CE2' ' CG2' ' A' ' 30' ' ' VAL . 2.0 t80 -92.21 -57.26 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.658 ' CG2' ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -100.59 -32.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.895 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -69.24 -26.82 64.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 124.52 121.72 2.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 1.6 p-10 -40.91 -20.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -62.92 -11.0 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.29 139.43 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.697 ' CE2' ' O ' ' A' ' 37' ' ' TYR . 6.4 t80 -100.86 171.3 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.697 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 26.8 t80 -82.53 91.92 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 1.372 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 4.1 m-85 -69.98 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.421 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 1.8 t-20 -77.05 -159.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.44 106.39 45.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -1.42 11.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.462 ' CG2' ' H ' ' A' ' 43' ' ' GLY . 99.8 m -159.95 179.27 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.462 ' H ' ' CG2' ' A' ' 42' ' ' THR . . . -35.37 155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -82.24 46.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.793 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.85 -27.44 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' TYR . 7.9 t -95.51 74.77 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -71.06 70.3 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' ARG . 10.7 m -130.7 169.87 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 50' ' ' ARG . 15.3 mmp_? -36.42 107.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' ARG . 29.7 ptt180 -35.21 110.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.69 -43.69 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 p -75.33 -5.04 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -39.48 -33.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.641 ' O ' ' CG2' ' A' ' 54' ' ' THR . 1.2 m -89.43 36.09 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.817 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -18.33 90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.732 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -55.55 -5.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.903 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.27 -46.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -90.03 -32.97 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.817 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.7 tp10 -85.62 -22.95 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.671 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 19.2 t -80.41 -50.97 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.259 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' N ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -61.23 -34.05 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -86.16 -43.57 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.56 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -27.75 98.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.931 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.88 98.35 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' CYS . 38.2 m-20 -58.44 -129.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.615 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -90.96 -31.7 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -36.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' HG3' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -68.38 -48.85 63.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.615 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.28 -37.1 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -77.76 -30.09 51.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -65.93 -58.64 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.228 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.2 m-30 -73.48 -26.33 60.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.06 50.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.228 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -63.44 159.13 53.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.955 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.477 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.15 19.85 4.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 23' ' ' LEU . . . 57.48 135.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' C ' HD21 ' A' ' 23' ' ' LEU . . . -91.57 -8.76 46.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.8 tt0 -45.14 -67.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.75 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -25.74 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 22' ' ' GLU . 47.1 t -86.62 -56.87 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.372 1.045 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -61.8 -27.13 68.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -68.89 -61.49 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.747 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.51 -30.1 64.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.699 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -74.04 -13.95 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -85.26 -53.91 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 111.065 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.591 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -77.6 -53.19 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -54.96 -29.87 57.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 108.332 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 125.66 120.08 2.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 1.5 t70 -26.85 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 0.792 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.72 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -51.58 -15.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . 65.45 144.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.795 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -104.38 126.25 51.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 111.05 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 t80 -52.23 106.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.715 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 5.0 m-30 -67.35 -111.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' CYS . 62.0 t30 -50.7 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -50.95 -51.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -38.95 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.458 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.06 114.4 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 5.2 t80 -154.42 130.55 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.32 -67.34 0.61 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -83.07 68.45 9.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 35.3 t -163.43 68.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 10.9 t -111.86 82.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -163.86 162.82 23.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.23 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 mmt180 -35.64 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.184 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -94.95 155.12 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 1.0 OUTLIER 37.57 72.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -61.11 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.636 ' CG2' ' CD2' ' A' ' 73' ' ' TYR . 12.4 t -100.22 26.31 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.13 96.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.75 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -57.55 -15.7 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.7 ' CG2' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -115.46 -42.95 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 29.5 m-20 -81.65 -28.75 33.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -93.63 -22.47 18.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.4 m -80.61 -38.48 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.231 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -34.38 44.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 108.244 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 36.4 t80 -85.04 -53.86 5.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 64' ' ' SER . 1.3 mtm180 -109.38 92.65 4.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.597 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -21.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.717 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -124.95 97.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 0.0 108.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.66 -120.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 70' ' ' LEU . 1.4 mp -92.39 -31.9 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -37.88 -57.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.244 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.53 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -59.41 -39.37 83.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.747 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -43.93 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.31 -26.06 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.461 ' CG ' ' HA ' ' A' ' 69' ' ' ARG . 77.6 mmm -60.62 -43.78 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.334 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -100.74 -18.18 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.697 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.85 49.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.238 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.334 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -62.99 111.6 5.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.667 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 1.7 t -70.7 26.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.667 ' H ' ' C ' ' A' ' 18' ' ' LEU . . . -123.72 -8.42 6.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.644 ' C ' HG11 ' A' ' 24' ' ' VAL . . . -102.9 -12.13 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.815 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -81.41 -75.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.887 ' HG ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -35.25 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.684 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -78.3 -34.93 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -71.05 -27.17 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -68.24 -57.4 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.953 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -63.14 -20.25 65.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -89.85 -12.64 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -84.56 -46.83 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.552 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 2.1 t -98.19 -49.03 11.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.953 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -55.77 -27.35 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.356 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 126.95 124.15 2.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.654 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 62.5 m-20 -36.08 -24.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' A' ' 32' ' ' GLY . 1.9 mmp_? -56.18 -16.58 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.571 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 82.81 140.31 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.822 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 151.36 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 111.048 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.44 113.4 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.737 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 10.1 m-85 -63.92 -105.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 34.8 t-20 -88.72 172.36 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.1 107.09 48.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.96 58.4 4.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 41' ' ' PRO . 99.3 m -159.99 178.67 9.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.579 1.174 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' H ' ' CG2' ' A' ' 42' ' ' THR . . . -35.89 155.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -83.22 48.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.95 -27.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.1 t -89.15 68.82 8.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 71.15 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 7.8 p -138.32 164.47 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -38.25 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -35.96 109.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -82.72 -54.06 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.8 t 90.77 -17.85 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.351 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.71 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.5 tt0 -33.17 -36.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.601 ' OG1' ' CE2' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -63.39 23.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.849 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -96.41 28.27 13.87 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.684 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.5 OUTLIER -47.02 -8.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.887 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.04 -45.32 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -92.54 -29.15 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.234 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -90.94 -21.19 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.684 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 8.8 t -85.33 -50.39 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 8.4 m -63.83 -41.13 97.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 8.2 t80 -78.64 -46.15 19.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 1.1 ttt180 -104.97 92.61 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.538 ' C ' ' O ' ' A' ' 63' ' ' ARG . 9.8 m -27.61 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.709 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -119.69 97.15 5.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.4 m-20 -58.16 -131.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -92.13 -19.54 22.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -34.34 66.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.61 1.194 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.563 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -69.01 -49.51 57.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.655 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -47.16 -36.24 8.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -27.22 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -58.63 -52.83 64.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.28 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -95.67 -18.42 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.56 51.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.28 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -48.2 163.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.106 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -79.96 15.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.619 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 102.97 107.36 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.732 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -101.21 -4.34 27.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.3 tt0 -69.47 -54.02 16.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.952 HD22 ' H ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -26.83 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.952 ' H ' HD22 ' A' ' 23' ' ' LEU . 1.3 p -79.81 -44.73 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 22' ' ' GLU . 35.8 m-20 -63.97 -34.4 77.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.672 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.32 -54.41 46.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.82 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -69.47 -14.21 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.84 -10.48 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -105.29 -40.27 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -95.83 -40.57 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.36 -27.95 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.269 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.762 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 119.68 125.56 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.604 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 m-20 -26.9 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 0.814 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.762 ' N ' ' O ' ' A' ' 32' ' ' GLY . 4.4 mmp_? -39.44 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.56 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.82 131.4 0.15 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.542 1.152 . . . . 0.0 111.067 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.609 ' O ' ' C ' ' A' ' 37' ' ' TYR . 63.0 t80 -108.11 119.07 38.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -18.06 -91.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.765 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER 157.64 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.616 ' O ' ' CE2' ' A' ' 37' ' ' TYR . 13.0 t-20 -98.54 139.94 33.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.546 ' NZ ' ' CB ' ' A' ' 75' ' ' ALA . 6.0 mtmt -100.76 107.83 50.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 24.5 m -36.1 -36.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' HH11 ' A' ' 50' ' ' ARG . . . -35.71 154.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -144.02 -168.73 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.14 -84.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -90.25 68.45 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 0.721 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -164.25 114.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -150.02 80.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -163.84 86.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.475 HH11 ' N ' ' A' ' 43' ' ' GLY . 2.4 ptp180 -167.41 162.17 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.3 m 68.03 39.47 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.704 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -33.24 -37.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.864 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.0 m -64.85 24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.821 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -82.19 46.7 3.57 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.767 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -47.83 -9.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.413 0.713 . . . . 0.0 109.351 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.703 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -109.85 -52.06 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.175 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.04 -28.59 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.821 ' N ' ' O ' ' A' ' 55' ' ' GLY . 6.2 mm-40 -88.05 -19.84 26.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.554 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -77.91 -42.12 34.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 108.276 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -70.86 -36.22 72.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -87.98 -44.57 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.95 107.89 17.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 63' ' ' ARG . 6.0 m -10.43 117.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.484 ' SG ' HD11 ' A' ' 23' ' ' LEU . 17.1 t -76.26 91.84 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -96.85 100.21 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -28.98 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.5 ttm180 -38.39 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 72' ' ' MET . 1.1 mtt180 -76.21 -51.97 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.64 ' CD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -39.45 -40.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 68' ' ' ARG . 9.2 pt-20 -79.5 -34.0 41.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -76.26 -40.25 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 1.117 ' O ' ' N ' ' A' ' 75' ' ' ALA . 4.7 m-30 -78.9 -18.1 54.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 49.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -69.91 170.8 8.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HB3' ' CD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.457 0.17 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.527 ' CD2' ' HB3' ' A' ' 1' ' ' MET . 56.9 m-85 50.04 100.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.01 -87.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.595 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -24.25 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' PRO . 7.3 mmt -41.28 164.77 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.22 151.63 19.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.449 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -162.09 54.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.981 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 m -161.69 92.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 159.36 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -161.19 -20.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.59 ' CG2' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -95.81 98.39 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -101.47 50.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.631 ' N ' ' CD ' ' A' ' 15' ' ' PRO . . . 146.22 -42.83 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 14' ' ' GLY . 18.4 Cg_endo -75.01 -157.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.59 ' O ' ' CG2' ' A' ' 12' ' ' VAL . 28.8 mtm-85 -100.66 -93.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -104.21 20.81 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' N ' ' CG2' ' A' ' 12' ' ' VAL . 5.0 mp -83.17 -171.1 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.616 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -101.28 21.16 14.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.333 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' ' CG ' ' A' ' 15' ' ' PRO . . . 98.03 144.67 17.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -60.13 -12.18 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -64.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 5.8 mt -48.54 -27.04 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.599 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.59 -46.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -66.94 -16.51 64.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.694 ' CB ' ' CD2' ' A' ' 70' ' ' LEU . . . -70.07 -57.97 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 70' ' ' LEU . 1.9 mp -53.07 -40.8 64.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 1.055 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -83.15 -13.7 55.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.671 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -67.7 -35.62 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.588 HG23 ' CE2' ' A' ' 29' ' ' PHE . 1.3 t -95.7 -27.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -26.76 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 1.055 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 160.71 104.44 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.8 t70 -38.41 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 32' ' ' GLY . 6.1 mmp_? -32.41 -31.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 102.05 127.91 6.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 57.3 t80 -117.81 177.7 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.656 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -102.72 -138.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.756 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 13.1 m-85 -146.38 -115.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CG ' ' SG ' ' A' ' 52' ' ' CYS . 5.5 t30 -82.59 83.01 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' CD ' ' HB3' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.72 104.83 41.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.5 Cg_endo -74.95 49.05 2.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 41' ' ' PRO . 24.4 m -38.26 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.73 -74.81 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 2.2 t80 -155.02 138.49 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -34.1 -72.33 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -86.28 61.5 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 0.778 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 1.3 t -170.15 64.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.9 m -162.35 153.55 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ALA . 49.8 mtm180 -38.34 114.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.84 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . . . -160.22 -143.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER 67.14 -72.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.325 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -37.05 -28.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.636 ' O ' ' C ' ' A' ' 55' ' ' GLY . 1.3 m -81.34 33.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.839 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.97 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.756 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -57.65 -6.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.628 HG12 ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -111.43 -48.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -89.22 -27.56 20.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.839 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -88.8 -23.58 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 4.4 m -81.56 -42.14 20.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -71.8 -32.09 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -90.19 -47.5 7.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' SER . 11.2 ttt180 -102.96 92.72 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.0 m -26.4 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -125.78 97.19 5.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.2 m-20 -60.64 -137.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.648 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -95.94 -12.62 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -59.69 -41.19 90.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -69.16 -56.2 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.694 ' CD2' ' CB ' ' A' ' 26' ' ' ALA . 2.1 pp -46.21 -34.28 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.23 -32.88 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.9 mmt -64.74 -54.34 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.155 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -65.55 -16.53 63.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.726 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -4.36 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.155 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.42 148.54 83.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.99 104.07 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.4 OUTLIER -35.87 151.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -116.58 89.03 26.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.6 25.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.36 37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.563 ' C ' ' O ' ' A' ' 81' ' ' LYS . 6.7 t -25.16 -70.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.751 ' N ' ' HG ' ' A' ' 8' ' ' SER . 1.5 ttm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.551 0.215 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 69.16 144.9 0.1 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.636 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -79.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.33 -68.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -99.97 108.47 51.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 67.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -79.92 57.83 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.751 ' HG ' ' N ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -162.02 55.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.051 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -146.49 155.33 42.46 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.3 OUTLIER 90.9 -2.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -170.85 -13.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 t -104.92 103.03 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' CB ' HD13 ' A' ' 18' ' ' LEU . 3.1 t30 -94.92 -25.12 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 21' ' ' ALA . . . 128.57 -85.21 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' H ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.21 53.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -100.66 -76.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 13' ' ' ASN . 22.7 mt -74.96 -121.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.87 19.61 6.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 131.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.769 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -91.44 -1.53 57.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.682 ' O ' ' N ' ' A' ' 25' ' ' ASP . 5.5 tt0 -75.76 -55.36 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 65.5 mt -28.85 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.769 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -76.99 -45.97 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 22' ' ' GLU . 4.9 t0 -66.87 -23.49 66.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.86 -61.49 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.907 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.07 -19.53 65.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.592 ' CD ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.32 -8.56 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.615 ' CE2' ' CG2' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -102.04 -45.71 5.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.615 ' CG2' ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -96.52 -38.73 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.907 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -74.26 -27.83 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 108.303 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.824 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 117.23 125.92 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 111.055 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -27.79 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.824 ' N ' ' O ' ' A' ' 32' ' ' GLY . 23.6 mtm-85 -46.06 -22.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 68.92 140.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.607 ' CE1' ' O ' ' A' ' 37' ' ' TYR . 2.4 t80 -101.37 164.41 11.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.607 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -80.72 85.02 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.737 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -31.21 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -103.17 -149.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 42' ' ' THR . 0.0 OUTLIER -69.2 160.88 76.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.355 1.035 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.575 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.97 77.99 2.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' PRO . 2.6 m -38.99 170.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -33.43 93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 5.2 t80 -157.01 136.84 12.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -37.26 -28.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.9 t -89.47 70.52 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.66 72.3 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -79.78 119.34 22.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -35.84 109.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 ptt180 -35.23 110.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.91 23.73 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.633 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 13.2 m -129.25 29.1 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -45.19 -21.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -80.53 33.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.44 89.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.737 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -50.0 -6.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.694 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -110.17 -39.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -94.64 -39.26 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -81.58 -22.91 37.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.34 -40.55 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 1.5 m -57.57 -37.31 72.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -78.69 -39.76 35.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' CYS . 50.8 ttt-85 -105.65 91.5 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.9 m -35.87 94.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.543 ' O ' ' O ' ' A' ' 66' ' ' ASP . 7.7 p -135.53 94.34 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 65' ' ' CYS . 56.7 m-20 -48.25 -106.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 2.7 mp -94.87 -25.95 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.183 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 9.1 mtp180 -37.61 -42.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' HD3' ' CB ' ' A' ' 65' ' ' CYS . 0.9 OUTLIER -68.21 -46.66 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -42.92 -39.59 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.29 -30.27 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.285 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -96.21 -13.55 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -35.64 50.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.285 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -77.48 160.03 75.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 17.9 Cg_endo -75.04 65.07 6.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -35.47 131.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -39.86 100.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.03 132.6 15.57 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.97 -170.55 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.556 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.98 37.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 81' ' ' LYS . 3.6 t -25.17 -69.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.561 0.219 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' O ' ' SD ' ' A' ' 1' ' ' MET . 6.8 m-85 53.6 168.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.636 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.07 -63.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.27 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.79 165.02 48.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.07 134.21 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.61 55.19 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.596 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 33.2 p -112.55 114.51 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 96.17 29.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.228 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 12' ' ' VAL . 3.8 t80 -178.12 33.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.578 ' O ' ' O ' ' A' ' 11' ' ' PHE . 7.8 p -55.69 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.531 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 9.8 m-20 -40.4 -23.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -161.21 -165.38 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.02 -170.19 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -49.53 -21.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 18' ' ' LEU . 3.8 m -70.49 -24.52 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -61.93 -129.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -89.85 19.33 4.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 50.73 171.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.6 ' O ' ' N ' ' A' ' 24' ' ' VAL . . . -92.1 2.12 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ALA . 33.0 tt0 -36.75 -69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -53.17 -24.29 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.622 ' N ' ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -70.68 -36.69 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' N ' HG11 ' A' ' 24' ' ' VAL . 2.3 m-20 -73.98 -30.51 62.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.559 ' C ' HD22 ' A' ' 70' ' ' LEU . . . -56.99 -53.24 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.91 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 1.4 mp -67.74 -29.68 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.67 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.08 -8.36 56.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.666 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -96.34 -53.08 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 1.6 t -95.42 -36.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.91 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -72.01 -28.52 63.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.819 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 116.94 124.43 3.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.67 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -28.44 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.819 ' N ' ' O ' ' A' ' 32' ' ' GLY . 20.0 mmt-85 -50.4 -20.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.559 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.5 141.71 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.685 ' CZ ' ' CG ' ' A' ' 73' ' ' TYR . 4.1 t80 -92.13 157.47 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 0.728 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -71.37 56.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.748 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -8.44 -66.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -103.71 158.93 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -63.77 175.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.04 73.96 4.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -35.91 156.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.57 -90.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.56 -165.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -36.93 -86.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -86.16 64.13 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.49 77.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 64.94 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' ALA . 4.4 mmp_? -48.17 98.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.6 mtm180 -35.6 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -127.47 3.22 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 p -86.18 49.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.01 -53.56 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.616 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -94.27 27.12 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.827 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.11 91.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.748 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.4 OUTLIER -55.02 -9.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.691 HG12 ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -114.35 -39.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -90.59 -35.53 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tt0 -86.18 -20.8 28.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 9.0 t -87.22 -43.1 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 108.265 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -61.55 -39.09 89.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -81.68 -44.1 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.9 ttp180 -107.26 94.05 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' ARG . 3.3 m -33.9 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.641 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.7 OUTLIER -120.65 101.15 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.0 m-20 -57.06 -131.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.605 ' CD1' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.2 -19.12 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -34.77 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.549 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -70.93 -49.16 48.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.605 ' CD2' ' CD1' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -44.5 -37.54 3.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.36 -26.44 32.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.52 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.6 mmt -64.51 -48.6 74.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.685 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -81.8 -21.87 37.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -29.28 47.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' CYS . . . -38.14 98.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.95 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' PRO . 4.1 mp -35.44 117.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -93.15 134.74 26.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -75.01 55.79 4.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 163.1 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.94 40.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -37.49 138.18 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 1.1 tpt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.534 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 1' ' ' MET . 3.7 m-85 59.68 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.0 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.45 -67.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 6.2 mmt -100.2 108.38 52.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.19 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.62 116.17 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.58 55.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 82.5 p -140.96 88.31 2.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.546 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 91.59 29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.618 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.4 t80 -177.43 31.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' CB ' ' A' ' 21' ' ' ALA . 10.0 p -58.84 -57.08 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.487 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 8.4 m-20 -104.42 28.83 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.618 ' O ' ' CG ' ' A' ' 11' ' ' PHE . . . 106.56 -91.05 0.7 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' LEU . 18.3 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.1 m -100.07 24.75 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -88.34 -100.51 0.09 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -100.3 19.81 15.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 42.18 101.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.774 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -53.82 -16.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.587 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 7.4 tt0 -45.92 -23.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 61.5 mt -63.7 -36.99 85.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.774 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -82.29 -42.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 1.6 m-20 -73.97 -10.65 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -80.39 -59.06 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.694 ' CD2' ' HA ' ' A' ' 70' ' ' LEU . 1.1 mp -51.22 -45.69 62.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -81.34 -15.51 55.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.347 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.67 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -62.94 -36.82 84.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.617 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 41.9 t -99.81 -23.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 -25.33 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.366 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.92 109.81 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.168 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.37 33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.806 ' H ' ' C ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -101.96 -6.69 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 92.42 127.91 4.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 77.5 t80 -112.15 179.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -100.01 -152.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.719 ' CD1' HG23 ' A' ' 56' ' ' ILE . 15.2 m-30 -145.96 -116.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 1.2 t30 -93.08 93.99 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 135.59 19.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.05 85.68 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.557 ' O ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -37.3 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.499 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -38.83 -102.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.564 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -87.05 -162.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.29 66.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.4 t -79.08 68.44 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -73.73 71.34 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ARG . 62.9 m -109.32 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.28 114.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.98 101.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -133.5 71.23 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' THR . 2.0 p 161.02 -53.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.328 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -40.99 -23.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.647 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -81.05 35.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -10.9 90.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.719 HG23 ' CD1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -59.58 -8.03 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.657 ' CG2' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -113.86 -43.91 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 2.9 t70 -91.04 -27.72 18.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -91.29 -23.0 20.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -84.5 -42.54 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.6 m -70.63 -37.72 73.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 108.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 18.7 t80 -86.63 -50.38 6.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.555 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -105.4 91.48 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 63' ' ' ARG . 33.9 p -25.4 95.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.703 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -129.82 95.94 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.379 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.6 m-20 -62.04 -131.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -90.23 -17.13 28.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mmt180 -37.07 -43.57 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HB3' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.14 -42.27 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.694 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -43.67 -42.62 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -74.98 -39.34 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -51.06 63.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.348 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -82.07 -24.48 35.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.695 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -10.55 48.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 108.324 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.348 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -71.3 162.43 72.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.12 82.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.05 153.25 57.03 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.98 157.45 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.77 37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.571 ' C ' ' O ' ' A' ' 81' ' ' LYS . 3.1 t -25.19 128.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' CG ' HD11 ' A' ' 7' ' ' LEU . 4.7 tpt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.502 0.191 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.2 m-85 54.45 166.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.97 -56.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.635 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.45 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.476 ' CE ' ' O ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -100.63 150.12 36.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.421 HD11 ' CG ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -160.0 59.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.228 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.56 54.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.563 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 3.3 p -111.68 55.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 110.054 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.3 OUTLIER 159.1 40.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 18.0 t80 -169.87 23.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.37 -56.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.646 1.217 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -101.43 4.63 41.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.577 ' O ' ' HA ' ' A' ' 11' ' ' PHE . . . 130.76 -146.08 17.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.684 ' O ' ' N ' ' A' ' 18' ' ' LEU . 18.0 Cg_endo -75.0 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 6.8 mtm105 -38.32 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.9 t -76.31 9.72 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.684 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -84.95 -170.38 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' O ' HG13 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -104.46 28.33 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.657 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -129.5 -1.66 5.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.737 ' HA ' HG12 ' A' ' 24' ' ' VAL . . . -100.3 -19.55 16.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.5 tp10 -84.77 -76.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.633 ' HB3' HG22 ' A' ' 56' ' ' ILE . 0.3 OUTLIER -43.26 -26.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.737 HG12 ' HA ' ' A' ' 21' ' ' ALA . 3.7 p -73.79 -44.21 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.6 m-20 -69.32 -25.6 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . . . -62.22 -57.93 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.912 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.8 -27.32 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.574 ' HG3' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -78.05 -11.56 59.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.581 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -98.11 -43.77 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -99.29 -41.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.912 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.64 -28.52 67.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.786 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 121.99 125.11 3.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.568 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 5.8 m-20 -28.3 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.786 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.0 mmp_? -48.81 -20.25 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.574 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 69.06 135.9 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.643 ' CZ ' ' O ' ' A' ' 73' ' ' TYR . 15.0 t80 -107.01 125.19 50.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.702 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -55.34 114.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.786 ' CE2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -48.14 -98.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -105.83 -171.42 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 166.42 12.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.0 91.26 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -38.72 166.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.56 -91.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -147.9 -169.82 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.37 -83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -89.36 70.1 8.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -164.08 114.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 14.5 m -130.89 134.96 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -157.61 162.03 38.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -35.79 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -145.94 -59.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.498 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 20.3 p -86.45 68.99 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.5 -72.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.639 ' HB ' ' CE1' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -98.18 24.65 6.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.18 93.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.752 HG21 ' CD1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.46 -7.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.786 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -112.61 -45.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -91.47 -31.23 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -86.01 -21.92 27.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.724 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 5.7 t -84.05 -56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.75 67.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.28 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -78.74 -42.01 29.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 10.2 ttt85 -111.69 94.81 5.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -31.69 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.724 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 0.6 OUTLIER -126.35 99.99 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.5 m-20 -55.04 -128.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 2.8 mt -92.18 -29.66 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -44.2 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' MET . 7.4 mmt-85 -66.34 -43.7 85.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 110.246 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.564 ' CD2' ' HB3' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -45.9 -39.19 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' CG ' HG12 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -80.41 -29.53 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.3 mmt -59.75 -47.1 87.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.172 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -83.66 -17.17 42.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -43.82 48.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.365 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.172 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -47.98 175.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -35.51 137.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.62 148.13 37.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.476 ' O ' ' CE ' ' A' ' 5' ' ' MET . 18.2 Cg_endo -75.01 61.36 5.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.91 -154.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.562 ' O ' ' C ' ' A' ' 82' ' ' SER . 4.0 ptmt -179.31 37.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.365 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 81' ' ' LYS . 29.7 t -25.4 134.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.612 ' CG ' ' CD1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.611 ' CE2' ' C ' ' A' ' 8' ' ' SER . 17.8 m-85 66.5 161.52 0.13 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 111.068 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.651 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.0 -73.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.563 1.822 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.651 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -18.43 -89.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.5 mtt -100.98 167.67 10.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' O ' ' CD1' ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.04 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' CD1' ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -160.39 125.97 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.611 ' C ' ' CE2' ' A' ' 2' ' ' PHE . 4.5 m -162.31 55.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 6.0 p -79.8 59.36 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 160.72 38.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' O ' ' O ' ' A' ' 12' ' ' VAL . 4.7 t80 178.23 33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.573 ' O ' ' O ' ' A' ' 11' ' ' PHE . 9.9 p -55.31 -130.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.511 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 2.0 t-20 -39.83 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -179.57 -150.77 9.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' THR . 18.2 Cg_endo -74.99 172.24 16.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -40.16 -27.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' PRO . 19.5 m -66.3 -49.99 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -45.89 -89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 23.7 t -101.81 -101.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.59 145.33 5.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.557 1.16 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.804 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -91.94 -3.03 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 0.794 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 tp10 -76.91 -51.22 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 ' CD2' ' SG ' ' A' ' 60' ' ' CYS . 80.8 mt -33.06 -42.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.804 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -76.9 -50.63 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -67.09 -10.74 53.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.759 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -76.8 -61.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.597 ' CD1' HG23 ' A' ' 56' ' ' ILE . 1.3 mp -49.28 -41.81 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 1.033 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -82.32 -14.56 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.759 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -64.69 -37.33 87.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.638 ' CG2' ' CE2' ' A' ' 29' ' ' PHE . 69.0 t -97.64 -24.54 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.78 -27.5 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.276 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 1.033 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.24 109.11 0.24 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.793 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.808 ' H ' ' C ' ' A' ' 32' ' ' GLY . 14.7 ptp180 -96.64 -7.52 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' C ' ' CG ' ' A' ' 28' ' ' GLN . . . 95.2 122.57 3.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 40.8 t80 -113.67 175.24 5.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 0.776 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -91.96 -131.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.742 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 5.0 m-85 -162.17 -110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 158.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -49.5 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.04 72.16 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.7 m -34.68 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.63 81.13 0.0 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.73 ' N ' ' O ' ' A' ' 42' ' ' THR . 2.0 t80 -154.76 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.48 -39.89 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -97.88 74.41 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 t -73.77 71.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -126.07 163.5 22.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.73 110.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ARG . 10.5 ptt180 -35.76 111.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 53' ' ' GLN . . . -39.47 -54.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 40.83 29.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.258 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt0 -41.78 -54.83 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.611 ' O ' ' CG2' ' A' ' 54' ' ' THR . 1.1 m -91.69 25.8 2.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.818 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.38 87.48 0.0 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.174 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.742 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.7 OUTLIER -64.81 -5.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 0.811 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.656 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -106.89 -47.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 4.2 t0 -94.72 -31.66 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.818 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -84.1 -25.58 29.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.564 ' SG ' ' CD2' ' A' ' 23' ' ' LEU . 1.8 t -86.6 -46.29 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.459 ' SG ' HD13 ' A' ' 23' ' ' LEU . 1.2 m -58.68 -35.59 72.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 58' ' ' ASP . 5.8 m-85 -87.86 -41.29 13.33 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -104.93 92.66 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 64.7 m -36.05 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.066 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.642 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -124.87 100.79 6.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.336 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -53.61 -132.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.756 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 4.6 pp -93.74 -13.8 27.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -50.04 -44.06 51.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -71.94 -56.77 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.756 ' HG ' ' O ' ' A' ' 67' ' ' LEU . 1.3 pp -44.46 -34.95 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -38.51 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -56.68 -51.15 69.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.237 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -84.86 -16.11 42.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.694 ' C ' ' O ' ' A' ' 73' ' ' TYR . 2.3 t -15.47 55.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.237 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -70.0 137.85 87.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.07 3.25 5.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -34.31 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -40.35 142.16 0.78 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.459 ' HB3' ' CD ' ' A' ' 34' ' ' ARG . 18.1 Cg_endo -75.0 170.76 19.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.12 -161.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 179.54 37.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' LYS . 42.7 t -25.13 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 8.7 mmt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.512 0.196 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.551 ' CD2' ' SD ' ' A' ' 5' ' ' MET . 1.0 OUTLIER 54.12 167.57 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.03 -137.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.623 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -20.85 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.574 ' N ' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -55.5 118.59 19.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -90.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.18 57.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.56 54.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.959 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.59 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -142.42 97.08 3.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.9 OUTLIER 95.84 22.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' A' ' 12' ' ' VAL . 4.0 t80 177.45 36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 ' O ' ' O ' ' A' ' 11' ' ' PHE . 8.4 p -56.69 -129.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.54 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 7.8 m-20 -39.56 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -178.36 -155.28 14.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.31 -0.79 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -100.13 -22.84 15.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.467 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' CG ' ' HA3' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -78.38 -93.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.483 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -101.57 16.77 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.327 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.573 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 59.75 137.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -97.92 -3.25 38.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.824 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.771 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -58.41 -55.26 37.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.847 HD22 ' H ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -28.33 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.847 ' H ' HD22 ' A' ' 23' ' ' LEU . 2.1 p -87.41 -34.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -77.45 -14.24 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.77 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -84.75 -56.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.653 HD13 ' CG2' ' A' ' 56' ' ' ILE . 1.4 mt -53.61 -49.84 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.945 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -61.72 -44.43 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.696 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -40.43 -49.27 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG22 ' CD2' ' A' ' 29' ' ' PHE . 16.2 t -99.58 -53.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.585 ' N ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.13 -26.61 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 108.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.945 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 158.18 111.52 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.654 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.87 28.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.75 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -116.75 13.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 28' ' ' GLN . . . 88.76 125.47 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.387 1.054 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.622 ' CE2' HD21 ' A' ' 27' ' ' LEU . 40.8 t80 -105.37 148.29 27.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 5' ' ' MET . 6.4 t80 -100.96 119.87 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.689 ' CE1' HG23 ' A' ' 56' ' ' ILE . 20.4 m-30 -58.94 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.557 ' CA ' ' HB ' ' A' ' 54' ' ' THR . 3.4 t-20 -67.72 -162.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -100.52 178.72 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.8 m -34.42 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.75 89.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -158.03 134.05 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.94 -28.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.4 t -92.44 72.79 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -72.98 71.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ARG . 27.2 m -94.96 119.94 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -37.13 109.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.54 110.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -39.88 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.6 t 153.03 -22.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.657 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -32.87 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.557 ' HB ' ' CA ' ' A' ' 39' ' ' ASN . 1.7 t -66.9 28.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.657 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -73.75 3.65 33.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.689 HG23 ' CE1' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -69.29 -12.94 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.624 HG12 ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -114.84 -37.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -90.59 -34.65 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.652 ' CB ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tt0 -89.74 -20.2 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 5.3 t -85.65 -40.13 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.9 m -68.73 -38.12 79.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.99 -49.01 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -105.04 93.13 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.3 m -29.51 107.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.914 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.06 94.69 4.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.1 m-20 -57.86 -132.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.631 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.86 -17.52 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -55.44 -48.6 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -57.41 -51.1 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.26 -37.18 4.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -32.92 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' ARG . 2.5 mmt -63.27 -57.88 9.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.225 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.8 t80 -81.17 -28.28 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 4.5 t -3.35 48.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.225 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -38.2 98.73 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.01 -10.34 21.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' PRO . 14.2 tp -35.54 99.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -72.82 -53.05 5.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 18.5 Cg_endo -74.97 149.26 36.58 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.01 -69.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.76 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 81' ' ' LYS . 11.5 t -25.15 117.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.548 0.213 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.575 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -21.39 133.69 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.5 Cg_endo -74.92 -48.04 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.586 1.835 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -31.34 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.576 ' SD ' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -50.24 175.85 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 5' ' ' MET . 18.4 Cg_endo -74.95 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.34 -178.7 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.97 54.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.732 ' CB ' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -94.03 60.27 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.974 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.548 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 160.22 39.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 14' ' ' GLY . 2.0 t80 -163.08 22.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 13' ' ' ASN . 2.3 p -50.0 -53.72 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 4.2 m-20 -104.12 7.93 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.609 ' O ' ' CD2' ' A' ' 11' ' ' PHE . . . 122.74 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.639 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.73 -28.26 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.607 1.192 . . . . 0.0 110.278 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.543 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 11.9 p -85.77 16.31 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' HG ' ' CB ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -92.5 -133.61 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -86.85 23.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.6 ' HA2' HD23 ' A' ' 23' ' ' LEU . . . -131.93 9.1 5.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.639 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -96.56 -17.98 20.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 tt0 -85.96 -70.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.805 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -38.41 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.803 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 p -75.99 -48.56 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.11 -33.05 70.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -60.6 -55.96 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.89 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.6 OUTLIER -69.35 -33.4 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.587 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -74.32 -5.2 40.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.654 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -92.41 -59.45 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 29' ' ' PHE . 3.2 t -99.7 -29.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.89 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.939 ' C ' ' H ' ' A' ' 34' ' ' ARG . . . 123.06 121.16 2.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.58 ' HA ' ' CG ' ' A' ' 28' ' ' GLN . 22.0 m-20 -51.48 26.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.939 ' H ' ' C ' ' A' ' 32' ' ' GLY . 20.6 ptp180 -101.51 -13.05 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 28' ' ' GLN . . . 79.62 128.44 0.66 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.774 ' CE1' ' O ' ' A' ' 37' ' ' TYR . 8.0 t80 -108.54 158.2 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.774 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 1.9 m-85 -71.18 103.9 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.803 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 2.5 m-30 -75.38 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.553 ' OD1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -75.21 -176.09 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.517 ' CE ' ' CB ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -101.52 177.96 1.36 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 75.57 3.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 44' ' ' TYR . 55.2 m -36.27 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.78 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CE2' ' SD ' ' A' ' 5' ' ' MET . 0.3 OUTLIER -158.01 132.38 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.999 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.88 -27.69 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.6 t -90.99 71.31 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -74.61 72.25 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ARG . 6.8 m -110.48 167.74 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.15 105.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ARG . 37.9 mtp180 -35.83 113.17 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.517 ' CB ' ' CE ' ' A' ' 40' ' ' LYS . . . -39.35 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -70.33 64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 108.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' ALA . 1.5 tt0 -37.2 -34.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.641 ' O ' ' CG2' ' A' ' 54' ' ' THR . 1.1 m -89.65 36.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.82 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -23.4 92.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.805 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -46.78 -11.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.793 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.4 -40.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 1.3 m-20 -87.93 -31.97 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.82 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -90.34 -24.13 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.695 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 49.8 t -76.98 -48.95 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m -68.06 -35.24 77.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 68.6 t80 -82.09 -37.66 26.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.69 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -109.61 110.9 22.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.69 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.9 m -6.11 114.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.76 93.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 68' ' ' ARG . 2.0 t0 -117.05 117.02 28.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.612 ' CD1' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -28.55 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.634 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -43.77 -28.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -71.43 -56.8 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD23 ' CD1' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -41.35 -36.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.355 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.3 -34.05 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -61.12 -52.3 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.211 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -82.79 -17.97 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -40.41 50.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.408 1.067 . . . . 0.0 108.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.211 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -58.1 157.16 17.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.11 63.55 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' CB ' ' CE2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -35.48 144.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -60.14 110.92 3.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.43 42.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 82' ' ' SER . 27.5 tttt -179.35 37.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 81' ' ' LYS . 17.2 t -25.07 -62.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.624 ' N ' ' HG ' ' A' ' 8' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.505 0.193 . . . . 0.0 110.984 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.08 162.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -81.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.415 1.745 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.632 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.24 -87.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 153.57 40.73 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -101.83 164.35 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.624 ' HG ' ' N ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -131.64 36.12 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.516 ' OG ' ' O ' ' A' ' 8' ' ' SER . 18.5 m -172.96 -162.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -54.87 -18.59 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.309 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ASN . 6.9 t80 175.01 15.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 2.1 t -53.5 85.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 11' ' ' PHE . 0.5 OUTLIER -80.67 -11.23 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.48 -85.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 176.98 9.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -100.07 12.57 36.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -91.61 -2.92 56.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -147.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' HG13 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -104.02 22.7 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.608 ' O ' ' CG1' ' A' ' 57' ' ' VAL . . . -109.23 -100.31 2.63 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.507 1.129 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -49.43 -13.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.511 ' N ' ' C ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER -55.26 -77.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.752 ' CG ' ' O ' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -43.54 -23.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.688 HG22 ' CE1' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -66.75 -47.65 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -66.96 -20.57 65.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.597 ' HA ' ' HB3' ' A' ' 29' ' ' PHE . . . -64.29 -60.2 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 1.4 mp -53.01 -40.14 63.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 1.059 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -84.33 -13.86 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.702 ' CZ ' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -69.74 -30.96 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.702 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 99.0 t -96.8 -29.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -28.47 17.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 1.059 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 163.27 104.54 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.8 p-10 -37.74 -24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mtt-85 -32.12 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 99.2 127.22 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.676 ' CG ' ' N ' ' A' ' 37' ' ' TYR . 16.7 t80 -119.13 175.57 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.676 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 1.3 t80 -91.94 -137.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.715 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 9.4 m-85 -146.41 -114.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.516 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -99.04 -91.92 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 2.1 mttt -101.75 174.85 2.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.0 -35.29 3.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.502 ' OG1' ' O ' ' A' ' 41' ' ' PRO . 94.5 m -162.0 177.83 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -56.32 -139.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 3.8 t80 -155.32 133.69 11.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -36.72 -70.08 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.82 68.13 9.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 44' ' ' TYR . 46.1 m -167.33 116.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -118.35 63.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 50' ' ' ARG . 5.1 mtm105 -166.11 166.83 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' ARG . 12.3 mmt85 -34.25 114.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' ARG . . . -38.27 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -98.48 108.12 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.225 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -36.62 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.718 ' O ' ' N ' ' A' ' 56' ' ' ILE . 1.5 m -85.51 34.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.845 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -44.76 78.21 0.0 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.752 ' O ' ' CG ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -60.14 -3.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.608 ' CG1' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -113.44 -47.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.59 -25.06 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.845 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.89 -18.79 22.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.207 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' A' ' 56' ' ' ILE . 4.3 m -94.25 -35.69 12.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -75.01 -39.59 61.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.243 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.92 -51.63 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.625 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -111.77 101.96 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.625 ' C ' ' O ' ' A' ' 63' ' ' ARG . 30.7 m -18.14 118.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -113.4 82.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.253 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -39.45 109.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.679 ' HA ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -26.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.739 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -47.98 -33.45 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.69 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -70.95 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.679 ' CD2' ' HA ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -36.42 -35.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -71.38 -40.34 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.69 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.35 -57.53 8.66 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.157 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -57.84 -12.64 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -4.76 53.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 108.32 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.157 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.43 153.69 85.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 17.8 Cg_endo -75.07 126.25 9.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' PRO . 2.2 tp -35.53 108.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.49 -51.46 78.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 37' ' ' TYR . 18.3 Cg_endo -75.03 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.03 60.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.562 ' O ' ' C ' ' A' ' 82' ' ' SER . 3.1 tttt -179.93 37.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 81' ' ' LYS . 31.0 t -25.27 -74.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.682 ' C ' ' CG ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.503 0.192 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.682 ' CG ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 163.39 145.13 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.1 Cg_endo -74.95 -67.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.609 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -22.39 -78.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.618 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 14.3 ttp -102.5 105.48 44.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.01 117.08 4.78 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.545 1.813 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 58.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.15 55.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 32.6 m -145.92 94.69 2.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.549 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 91.03 26.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.531 ' O ' ' O ' ' A' ' 12' ' ' VAL . 4.2 t80 178.01 33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.614 ' CG1' ' H ' ' A' ' 13' ' ' ASN . 9.8 p -55.04 -117.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.614 ' H ' ' CG1' ' A' ' 12' ' ' VAL . 3.5 m120 -38.29 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . 162.33 -135.52 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 172.9 15.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 4.2 ptp180 -52.82 -17.59 1.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -79.64 -10.55 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -91.24 -101.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.446 ' CB ' HG12 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -95.95 17.1 16.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 59.54 142.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.91 -1.26 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.739 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.7 tt0 -70.68 -56.82 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.583 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 81.9 mt -29.8 -44.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 21' ' ' ALA . 2.4 p -75.81 -42.62 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t70 -68.38 -28.03 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.82 -58.25 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.947 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 1.2 mp -61.36 -32.99 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.621 ' CD ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.7 -8.34 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.679 ' CZ ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -91.15 -52.86 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.679 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 1.2 t -101.27 -37.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.947 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -65.53 -26.79 68.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 108.272 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 118.24 125.03 3.45 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.621 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -32.69 -23.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 0.757 . . . . 0.0 109.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 ptp180 -53.9 -19.06 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.542 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 71.71 141.57 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.429 1.081 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.624 ' CG ' HD22 ' A' ' 27' ' ' LEU . 62.0 t80 -100.28 148.86 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -73.9 81.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.768 ' CE2' ' CG1' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -24.65 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -100.88 -179.49 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -100.04 175.62 2.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.02 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.564 ' OG1' ' N ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -37.37 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.564 ' N ' ' OG1' ' A' ' 42' ' ' THR . . . -36.13 91.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.1 t80 -152.57 -174.04 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.47 9.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 50' ' ' ARG . 7.5 t -97.52 74.53 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -72.73 70.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -151.06 163.68 38.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 110.052 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' SER . 4.9 ptm180 -167.94 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 110.22 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.84 22.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 20.7 p 179.77 52.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -62.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.719 ' CG2' ' CG ' ' A' ' 73' ' ' TYR . 15.3 t -96.68 26.6 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.846 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -14.52 92.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.756 ' CG2' ' CE1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -61.32 -9.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.768 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -109.49 -41.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.6 -35.28 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.846 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tm-20 -83.06 -24.22 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.9 -41.03 11.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 108.34 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.582 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 1.8 m -57.61 -38.31 74.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.58 -40.64 41.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -107.32 92.03 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -37.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 66' ' ' ASP . 5.6 p -133.56 95.9 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.4 m-20 -45.6 -105.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.3 pp -96.61 -29.14 14.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.19 -39.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.384 1.053 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.507 ' CG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -72.0 -45.21 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.22 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.74 ' C ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -43.15 -40.27 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.626 ' N ' HD12 ' A' ' 70' ' ' LEU . 4.5 pt-20 -83.84 -26.17 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.504 ' N ' ' O ' ' A' ' 69' ' ' ARG . 4.8 mmt -63.63 -48.45 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CG ' ' CG2' ' A' ' 54' ' ' THR . 0.6 OUTLIER -92.65 -26.55 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -18.55 46.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 108.346 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.475 ' N ' ' CE1' ' A' ' 36' ' ' PHE . . . -67.07 155.33 90.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.499 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.01 -176.78 3.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -167.92 -168.05 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.47 154.0 56.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -59.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.448 1.762 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.97 153.39 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.0 OUTLIER -179.93 37.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 81' ' ' LYS . 2.9 t -25.13 -59.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.531 0.205 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.547 ' CZ ' ' HG3' ' A' ' 41' ' ' PRO . 0.3 OUTLIER 72.4 154.4 0.15 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.07 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.26 -60.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -100.19 108.49 52.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 67.1 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.9 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.25 55.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -115.89 119.29 35.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.07 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 87.99 24.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 67.6 t80 -165.79 25.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.584 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -64.54 91.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.23 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 4.2 t-20 -72.94 -37.34 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' ASN . . . -47.83 -99.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.133 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 18.7 Cg_endo -74.9 144.65 30.89 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.78 38.29 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 t -100.26 -6.46 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.495 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -85.96 -139.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.507 ' O ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -89.09 15.83 8.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.564 ' O ' HD23 ' A' ' 23' ' ' LEU . . . 96.47 139.54 10.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.799 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -97.87 0.21 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 29.8 tt0 -71.32 -53.93 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.713 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -27.03 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.58 1.175 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.799 HG11 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -82.31 -47.61 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.641 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.36 -11.03 56.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.814 ' O ' ' HB3' ' A' ' 29' ' ' PHE . . . -81.48 -55.5 4.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.665 ' HG ' ' CB ' ' A' ' 70' ' ' LEU . 1.3 mt -49.33 -45.52 45.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.5 tp60 -81.43 -18.97 43.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.814 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -59.04 -36.33 74.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.56 -26.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -25.01 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 164.9 109.85 0.23 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.23 34.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.842 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -102.13 -6.82 22.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 88.31 121.75 1.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.709 ' CD1' ' O ' ' A' ' 37' ' ' TYR . 1.6 t80 -118.39 137.06 53.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.709 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -62.98 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.665 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 74.9 m-85 -146.73 -116.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.468 ' CB ' HG21 ' A' ' 54' ' ' THR . 33.3 t30 -62.79 150.07 42.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -100.04 160.75 26.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 2' ' ' PHE . 18.3 Cg_endo -75.02 -25.49 11.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.464 ' CB ' ' HG3' ' A' ' 40' ' ' LYS . 6.6 m -36.08 -33.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . -35.42 136.26 0.4 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.427 1.08 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -154.57 131.82 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.34 0.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 67.69 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -163.99 114.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -88.89 113.27 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -163.56 99.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -35.82 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.03 81.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -144.58 -49.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.276 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.703 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.6 tt0 -33.16 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.632 ' OG1' ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -64.28 25.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.888 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -86.83 16.09 48.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.713 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.35 -7.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.597 ' H ' ' C ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -106.22 -52.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -92.44 -25.55 18.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 55' ' ' GLY . 18.6 tt0 -89.21 -23.78 22.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t -86.83 -38.57 16.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.01 -33.97 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.252 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -91.38 -50.44 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -106.03 95.19 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 63' ' ' ARG . 11.0 m -31.42 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -108.71 100.18 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.261 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.613 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -55.33 -133.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -101.71 -9.15 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -69.07 -35.79 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -67.94 -70.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.854 ' CD2' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -49.41 -20.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.694 ' N ' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -79.14 -29.79 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.5 mmt -67.77 -57.22 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.253 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.1 t80 -57.9 -18.04 20.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.722 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -8.09 51.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.253 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -72.94 145.03 86.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.573 HD22 ' CE1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -168.65 110.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -126.04 90.3 50.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.45 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 18.4 Cg_endo -74.94 113.36 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.98 83.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.572 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 179.98 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 81' ' ' LYS . 1.2 t -25.19 -62.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.655 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 2.5 mpt? . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.571 0.224 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER 155.37 167.68 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.97 -91.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -30.51 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 5' ' ' MET . 0.0 OUTLIER -103.4 174.73 2.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.02 -70.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.38 58.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.82 56.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 29.9 t -133.91 83.92 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.3 OUTLIER 88.81 35.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 51.0 t80 -162.38 17.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.556 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 1.2 t -54.74 89.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.3 m120 -32.61 -58.54 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -53.67 142.89 29.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.483 ' HA ' ' CB ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.08 59.58 5.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.7 mtm-85 -102.27 -104.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -93.66 -68.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.496 ' CD1' ' HA ' ' A' ' 10' ' ' LEU . 2.0 mm? -85.52 47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.483 ' CB ' ' HA ' ' A' ' 15' ' ' PRO . 32.0 p -63.1 -6.42 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 108.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.568 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -69.66 48.53 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -101.74 -18.49 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 25' ' ' ASP . 6.0 tt0 -84.48 -64.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.903 ' HG ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -37.41 -34.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 1.372 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -78.29 -41.86 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.637 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -71.48 -26.48 62.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.49 -53.92 35.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.916 HD11 ' CE1' ' A' ' 38' ' ' PHE . 2.6 mt -71.15 -40.18 71.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' ' HA ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -71.36 -6.62 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.658 ' CE2' ' CG2' ' A' ' 30' ' ' VAL . 2.0 t80 -92.21 -57.26 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.658 ' CG2' ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -100.59 -32.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.895 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -69.24 -26.82 64.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 124.52 121.72 2.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.599 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 1.6 p-10 -40.91 -20.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -62.92 -11.0 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.29 139.43 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.697 ' CE2' ' O ' ' A' ' 37' ' ' TYR . 6.4 t80 -100.86 171.3 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.697 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 26.8 t80 -82.53 91.92 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 1.372 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 4.1 m-85 -69.98 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.421 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 1.8 t-20 -77.05 -159.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.44 106.39 45.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -1.42 11.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.462 ' CG2' ' H ' ' A' ' 43' ' ' GLY . 99.8 m -159.95 179.27 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.462 ' H ' ' CG2' ' A' ' 42' ' ' THR . . . -35.37 155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -82.24 46.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.793 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.85 -27.44 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' TYR . 7.9 t -95.51 74.77 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -71.06 70.3 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' ARG . 10.7 m -130.7 169.87 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 50' ' ' ARG . 15.3 mmp_? -36.42 107.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' ARG . 29.7 ptt180 -35.21 110.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.69 -43.69 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 p -75.33 -5.04 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -39.48 -33.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.641 ' O ' ' CG2' ' A' ' 54' ' ' THR . 1.2 m -89.43 36.09 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.817 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -18.33 90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.732 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -55.55 -5.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.903 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.27 -46.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -90.03 -32.97 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.817 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.7 tp10 -85.62 -22.95 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.671 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 19.2 t -80.41 -50.97 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.259 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' N ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -61.23 -34.05 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -86.16 -43.57 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.56 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -27.75 98.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.931 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.88 98.35 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' CYS . 38.2 m-20 -58.44 -129.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.615 ' CD2' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -90.96 -31.7 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -36.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' HG3' ' CD1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -68.38 -48.85 63.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.615 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.28 -37.1 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -77.76 -30.09 51.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -65.93 -58.64 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.228 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.2 m-30 -73.48 -26.33 60.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.06 50.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.228 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -63.44 159.13 53.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.02 -65.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -35.41 98.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -78.15 -53.94 1.32 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.486 ' O ' ' CD1' ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.09 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.693 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -78.06 -41.74 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.572 ' O ' ' C ' ' A' ' 82' ' ' SER . 2.7 tptp -179.43 37.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 81' ' ' LYS . 5.9 t -25.19 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.556 0.217 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.404 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 57.95 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.642 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.02 -50.97 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.642 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.27 -63.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.69 160.34 29.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -177.38 3.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.57 72.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -162.45 55.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.981 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -153.39 81.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.047 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER 86.83 17.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 59.6 t80 -166.59 28.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.53 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 7.0 p -60.66 88.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -55.73 -19.27 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.81 -100.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.79 33.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -98.01 31.33 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.433 ' CG2' HD21 ' A' ' 18' ' ' LEU . 9.3 t -100.31 -38.39 8.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' CG ' HG13 ' A' ' 12' ' ' VAL . 3.2 mm? -59.14 -112.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.15 19.85 4.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.487 ' O ' HD23 ' A' ' 23' ' ' LEU . . . 57.48 135.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' C ' HD21 ' A' ' 23' ' ' LEU . . . -91.57 -8.76 46.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.711 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.8 tt0 -45.14 -67.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.75 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -25.74 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.711 ' N ' ' O ' ' A' ' 22' ' ' GLU . 47.1 t -86.62 -56.87 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.372 1.045 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -61.8 -27.13 68.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -68.89 -61.49 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.747 ' HA ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.51 -30.1 64.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.699 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -74.04 -13.95 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.694 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -85.26 -53.91 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 111.065 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.591 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -77.6 -53.19 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -54.96 -29.87 57.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 108.332 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 125.66 120.08 2.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 1.5 t70 -26.85 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 0.792 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.72 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -51.58 -15.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . 65.45 144.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.795 ' CZ ' ' HB3' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -104.38 126.25 51.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 111.05 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 t80 -52.23 106.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.715 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 5.0 m-30 -67.35 -111.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 52' ' ' CYS . 62.0 t30 -50.7 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -50.95 -51.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -38.95 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.458 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.06 114.4 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 5.2 t80 -154.42 130.55 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.32 -67.34 0.61 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -83.07 68.45 9.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 35.3 t -163.43 68.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 10.9 t -111.86 82.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -163.86 162.82 23.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.23 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 mmt180 -35.64 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.184 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -94.95 155.12 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 1.0 OUTLIER 37.57 72.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -61.11 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.636 ' CG2' ' CD2' ' A' ' 73' ' ' TYR . 12.4 t -100.22 26.31 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.13 96.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.75 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -57.55 -15.7 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.7 ' CG2' ' CD2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -115.46 -42.95 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 29.5 m-20 -81.65 -28.75 33.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -93.63 -22.47 18.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.4 m -80.61 -38.48 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.231 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.0 -34.38 44.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 108.244 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 36.4 t80 -85.04 -53.86 5.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 64' ' ' SER . 1.3 mtm180 -109.38 92.65 4.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.597 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -21.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.717 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -124.95 97.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 0.0 108.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.66 -120.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 70' ' ' LEU . 1.4 mp -92.39 -31.9 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -37.88 -57.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.244 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.53 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -59.41 -39.37 83.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.747 ' CD1' ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -43.93 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.31 -26.06 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.461 ' CG ' ' HA ' ' A' ' 69' ' ' ARG . 77.6 mmm -60.62 -43.78 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.334 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -100.74 -18.18 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.697 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.85 49.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.238 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.334 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -62.99 111.6 5.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.02 0.14 9.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -35.5 120.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 154.79 7.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -53.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.568 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.33 37.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.568 ' C ' ' O ' ' A' ' 81' ' ' LYS . 40.2 t -25.07 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.466 0.174 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 58' ' ' ASP . 1.3 m-30 65.5 148.6 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.637 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.01 -90.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.637 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.35 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 5' ' ' MET . 4.0 mpp? -100.23 118.58 61.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 98.15 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.575 1.829 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' CD2' ' O ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -95.27 113.31 24.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.488 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -163.69 57.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.991 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.522 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 84.1 p -161.08 85.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER 172.05 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -155.08 -3.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.633 ' HA ' ' HA ' ' A' ' 18' ' ' LEU . 37.3 t -67.57 79.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.04 -53.45 3.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -124.41 -153.15 8.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' O ' HD13 ' A' ' 18' ' ' LEU . 18.3 Cg_endo -75.06 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 15.6 mtm105 -102.32 -33.47 9.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.562 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 26.0 p -66.35 -0.19 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.667 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -67.39 -160.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 23' ' ' LEU . 1.7 t -70.7 26.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.667 ' H ' ' C ' ' A' ' 18' ' ' LEU . . . -123.72 -8.42 6.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.644 ' C ' HG11 ' A' ' 24' ' ' VAL . . . -102.9 -12.13 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.815 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -81.41 -75.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.887 ' HG ' ' HA ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -35.25 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.684 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -78.3 -34.93 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -71.05 -27.17 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 70' ' ' LEU . . . -68.24 -57.4 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.953 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -63.14 -20.25 65.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -89.85 -12.64 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.599 ' CD1' ' C ' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -84.56 -46.83 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.552 ' CG2' ' CD1' ' A' ' 67' ' ' LEU . 2.1 t -98.19 -49.03 11.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.953 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -55.77 -27.35 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.356 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 126.95 124.15 2.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.654 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 62.5 m-20 -36.08 -24.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' A' ' 32' ' ' GLY . 1.9 mmp_? -56.18 -16.58 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.571 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 82.81 140.31 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.822 ' CE1' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 151.36 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 111.048 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.44 113.4 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.737 ' HA ' ' CE1' ' A' ' 36' ' ' PHE . 10.1 m-85 -63.92 -105.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 34.8 t-20 -88.72 172.36 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.1 107.09 48.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.96 58.4 4.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 41' ' ' PRO . 99.3 m -159.99 178.67 9.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.579 1.174 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' H ' ' CG2' ' A' ' 42' ' ' THR . . . -35.89 155.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -83.22 48.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.95 -27.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.1 t -89.15 68.82 8.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 71.15 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 7.8 p -138.32 164.47 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -38.25 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -35.96 109.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -82.72 -54.06 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.8 t 90.77 -17.85 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.351 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.71 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.5 tt0 -33.17 -36.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.601 ' OG1' ' CE2' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -63.39 23.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.849 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -96.41 28.27 13.87 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.684 ' O ' ' CB ' ' A' ' 60' ' ' CYS . 0.5 OUTLIER -47.02 -8.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.887 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.04 -45.32 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -92.54 -29.15 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.234 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -90.94 -21.19 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.684 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 8.8 t -85.33 -50.39 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.465 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 8.4 m -63.83 -41.13 97.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 8.2 t80 -78.64 -46.15 19.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 1.1 ttt180 -104.97 92.61 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.538 ' C ' ' O ' ' A' ' 63' ' ' ARG . 9.8 m -27.61 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.709 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -119.69 97.15 5.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.4 m-20 -58.16 -131.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.587 HD11 ' CE2' ' A' ' 29' ' ' PHE . 0.0 OUTLIER -92.13 -19.54 22.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -34.34 66.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.61 1.194 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -69.01 -49.51 57.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.655 ' HA ' ' CD2' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -47.16 -36.24 8.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -27.22 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -58.63 -52.83 64.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.28 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -95.67 -18.42 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.56 51.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.28 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -48.2 163.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.97 71.6 4.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.2 OUTLIER -35.59 150.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.5 ttpp -102.91 142.21 24.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.98 -166.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.89 37.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' LYS . 5.2 t -25.25 127.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.216 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.608 ' O ' ' C ' ' A' ' 2' ' ' PHE . 2.6 ppp? . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.546 0.212 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' MET . 93.1 m-85 -15.53 123.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.0 Cg_endo -75.06 -73.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.618 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.55 -60.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 3' ' ' PRO . 36.9 mmm -99.7 163.94 17.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.16 7.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.94 170.59 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 55.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -131.04 96.09 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 88.48 29.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 1.4 t80 -162.81 21.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.561 ' CG1' ' CD1' ' A' ' 18' ' ' LEU . 12.3 p -63.97 78.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' O ' ' C ' ' A' ' 14' ' ' GLY . 34.5 t30 -34.01 -63.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASN . . . 23.23 -140.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -175.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 7.62 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.41 ' C ' HD22 ' A' ' 18' ' ' LEU . 8.1 m -101.23 21.57 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' CD1' ' CG1' ' A' ' 12' ' ' VAL . 0.6 OUTLIER -100.28 -151.02 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -79.96 15.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.619 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 102.97 107.36 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.732 ' O ' HG11 ' A' ' 24' ' ' VAL . . . -101.21 -4.34 27.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.3 tt0 -69.47 -54.02 16.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.952 HD22 ' H ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -26.83 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.952 ' H ' HD22 ' A' ' 23' ' ' LEU . 1.3 p -79.81 -44.73 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 22' ' ' GLU . 35.8 m-20 -63.97 -34.4 77.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.672 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.32 -54.41 46.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.82 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.9 OUTLIER -69.47 -14.21 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.84 -10.48 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.601 ' CZ ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -105.29 -40.27 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.601 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -95.83 -40.57 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.36 -27.95 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.269 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.762 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 119.68 125.56 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.604 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 m-20 -26.9 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 0.814 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.762 ' N ' ' O ' ' A' ' 32' ' ' GLY . 4.4 mmp_? -39.44 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.56 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.82 131.4 0.15 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.542 1.152 . . . . 0.0 111.067 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.609 ' O ' ' C ' ' A' ' 37' ' ' TYR . 63.0 t80 -108.11 119.07 38.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -18.06 -91.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.765 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER 157.64 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.616 ' O ' ' CE2' ' A' ' 37' ' ' TYR . 13.0 t-20 -98.54 139.94 33.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.546 ' NZ ' ' CB ' ' A' ' 75' ' ' ALA . 6.0 mtmt -100.76 107.83 50.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 24.5 m -36.1 -36.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.475 ' N ' HH11 ' A' ' 50' ' ' ARG . . . -35.71 154.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -144.02 -168.73 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.14 -84.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -90.25 68.45 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 0.721 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -164.25 114.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -150.02 80.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.0 mtm105 -163.84 86.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.475 HH11 ' N ' ' A' ' 43' ' ' GLY . 2.4 ptp180 -167.41 162.17 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.3 m 68.03 39.47 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.704 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -33.24 -37.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.864 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.0 m -64.85 24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.821 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -82.19 46.7 3.57 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.767 ' CD1' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -47.83 -9.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.413 0.713 . . . . 0.0 109.351 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.703 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -109.85 -52.06 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.175 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.04 -28.59 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.821 ' N ' ' O ' ' A' ' 55' ' ' GLY . 6.2 mm-40 -88.05 -19.84 26.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.554 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -77.91 -42.12 34.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 108.276 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -70.86 -36.22 72.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -87.98 -44.57 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.95 107.89 17.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 63' ' ' ARG . 6.0 m -10.43 117.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.484 ' SG ' HD11 ' A' ' 23' ' ' LEU . 17.1 t -76.26 91.84 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -96.85 100.21 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.544 ' C ' ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -28.98 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.5 ttm180 -38.39 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 72' ' ' MET . 1.1 mtt180 -76.21 -51.97 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.64 ' CD2' ' HA ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -39.45 -40.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.471 ' CG ' ' O ' ' A' ' 68' ' ' ARG . 9.2 pt-20 -79.5 -34.0 41.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -76.26 -40.25 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 1.117 ' O ' ' N ' ' A' ' 75' ' ' ALA . 4.7 m-30 -78.9 -18.1 54.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 49.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -69.91 170.8 8.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 120.07 5.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.93 120.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.23 175.24 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.01 167.48 26.94 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.01 111.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -178.67 36.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 81' ' ' LYS . 14.2 t -25.19 -54.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 57' ' ' VAL . 5.0 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -101.28 21.16 14.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.03 144.67 17.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -60.13 -12.18 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -64.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 57' ' ' VAL . 5.8 mt -48.54 -27.04 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -70.59 -46.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -66.94 -16.51 64.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.186 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -70.07 -57.97 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.025 HD11 HG21 ' A' ' 56' ' ' ILE . 1.9 mp -53.07 -40.8 64.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.055 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -83.15 -13.7 55.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.014 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.7 -35.62 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.805 HG21 ' CD1' ' A' ' 67' ' ' LEU . 1.3 t -95.7 -27.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -26.76 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 1.055 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 160.71 104.44 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.8 t70 -38.41 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 32' ' ' GLY . 6.1 mmp_? -32.41 -31.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 102.05 127.91 6.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.033 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 57.3 t80 -117.81 177.7 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.656 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -102.72 -138.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.807 ' CD1' HG22 ' A' ' 56' ' ' ILE . 13.1 m-85 -146.38 -115.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CG ' ' SG ' ' A' ' 52' ' ' CYS . 5.5 t30 -82.59 83.01 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.72 104.83 41.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.5 Cg_endo -74.95 49.05 2.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 41' ' ' PRO . 24.4 m -38.26 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.73 -74.81 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 2.2 t80 -155.02 138.49 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -34.1 -72.33 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -86.28 61.5 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 0.778 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 1.3 t -170.15 64.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.9 m -162.35 153.55 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ALA . 49.8 mtm180 -38.34 114.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.84 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 73' ' ' TYR . . . -160.22 -143.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER 67.14 -72.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.325 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -37.05 -28.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.775 ' O ' HG22 ' A' ' 54' ' ' THR . 1.3 m -81.34 33.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.839 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.97 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.025 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -57.65 -6.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.911 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.43 -48.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -89.22 -27.56 20.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.839 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -88.8 -23.58 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.4 m -81.56 -42.14 20.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -71.8 -32.09 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -90.19 -47.5 7.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' SER . 11.2 ttt180 -102.96 92.72 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.0 m -26.4 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -125.78 97.19 5.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.2 m-20 -60.64 -137.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.014 HD13 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -95.94 -12.62 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 2.8 mtt-85 -59.69 -41.19 90.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -69.16 -56.2 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.186 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 2.1 pp -46.21 -34.28 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.941 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.23 -32.88 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.9 mmt -64.74 -54.34 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.155 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -65.55 -16.53 63.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.726 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -4.36 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.155 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.42 148.54 83.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.87 19.61 6.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 131.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.698 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.44 -1.53 57.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.682 ' O ' ' N ' ' A' ' 25' ' ' ASP . 5.5 tt0 -75.76 -55.36 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 27' ' ' LEU . 65.5 mt -28.85 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -76.99 -45.97 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 22' ' ' GLU . 4.9 t0 -66.87 -23.49 66.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.86 -61.49 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.067 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -64.07 -19.53 65.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.592 ' CD ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.32 -8.56 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.06 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -102.04 -45.71 5.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.06 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -96.52 -38.73 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.907 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -74.26 -27.83 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 108.303 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.824 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 117.23 125.92 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 111.055 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -27.79 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.824 ' N ' ' O ' ' A' ' 32' ' ' GLY . 23.6 mtm-85 -46.06 -22.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 68.92 140.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.664 ' HE2' ' HB3' ' A' ' 75' ' ' ALA . 2.4 t80 -101.37 164.41 11.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.607 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -80.72 85.02 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.942 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -31.21 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 52' ' ' CYS . 8.6 t-20 -103.17 -149.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 160.88 76.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.355 1.035 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.575 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.97 77.99 2.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' PRO . 2.6 m -38.99 170.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -33.43 93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 5.2 t80 -157.01 136.84 12.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -37.26 -28.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.9 t -89.47 70.52 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.66 72.3 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -79.78 119.34 22.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -35.84 109.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 ptt180 -35.23 110.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.91 23.73 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 13.2 m -129.25 29.1 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -45.19 -21.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -80.53 33.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.44 89.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.067 HG21 HD11 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -50.0 -6.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.879 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -110.17 -39.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -94.64 -39.26 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -81.58 -22.91 37.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.34 -40.55 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.5 m -57.57 -37.31 72.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -78.69 -39.76 35.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' CYS . 50.8 ttt-85 -105.65 91.5 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.9 m -35.87 94.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.543 ' O ' ' O ' ' A' ' 66' ' ' ASP . 7.7 p -135.53 94.34 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 65' ' ' CYS . 56.7 m-20 -48.25 -106.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.051 HD23 ' CD2' ' A' ' 70' ' ' LEU . 2.7 mp -94.87 -25.95 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.183 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 9.1 mtp180 -37.61 -42.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.749 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -68.21 -46.66 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.051 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -42.92 -39.59 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.726 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 75.0 mt-10 -81.29 -30.27 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.285 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -96.21 -13.55 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.726 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -35.64 50.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.285 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -77.48 160.03 75.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -89.85 19.33 4.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 50.73 171.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -92.1 2.12 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ALA . 33.0 tt0 -36.75 -69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -53.17 -24.29 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.766 HG11 ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -70.68 -36.69 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.98 -30.51 62.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.836 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -56.99 -53.24 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.995 ' HA ' HD13 ' A' ' 70' ' ' LEU . 1.4 mp -67.74 -29.68 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.67 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.08 -8.36 56.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -96.34 -53.08 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.879 ' HB ' HD11 ' A' ' 70' ' ' LEU . 1.6 t -95.42 -36.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.91 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -72.01 -28.52 63.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.819 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 116.94 124.43 3.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.67 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -28.44 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.819 ' N ' ' O ' ' A' ' 32' ' ' GLY . 20.0 mmt-85 -50.4 -20.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.558 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.5 141.71 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.918 ' CG ' HD22 ' A' ' 27' ' ' LEU . 4.1 t80 -92.13 157.47 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 0.728 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -71.37 56.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.748 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -8.44 -66.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -103.71 158.93 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -63.77 175.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.04 73.96 4.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -35.91 156.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.57 -90.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.56 -165.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -36.93 -86.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -86.16 64.13 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.49 77.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 64.94 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' ALA . 4.4 mmp_? -48.17 98.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.6 mtm180 -35.6 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -127.47 3.22 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 p -86.18 49.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.01 -53.56 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.921 HG23 ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -94.27 27.12 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.827 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.11 91.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.979 HG21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -55.02 -9.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -114.35 -39.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -90.59 -35.53 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tt0 -86.18 -20.8 28.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.771 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.0 t -87.22 -43.1 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 108.265 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.3 m -61.55 -39.09 89.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -81.68 -44.1 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.9 ttp180 -107.26 94.05 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' ARG . 3.3 m -33.9 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.7 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -120.65 101.15 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.0 m-20 -57.06 -131.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.081 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.2 -19.12 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -34.77 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.608 ' CG ' ' HB2' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -70.93 -49.16 48.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.081 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -44.5 -37.54 3.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -82.36 -26.44 32.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.6 mmt -64.51 -48.6 74.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 54' ' ' THR . 0.1 OUTLIER -81.8 -21.87 37.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -29.28 47.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' CYS . . . -38.14 98.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -100.3 19.81 15.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 42.18 101.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -53.82 -16.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.4 tt0 -45.92 -23.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.974 ' O ' HD12 ' A' ' 27' ' ' LEU . 61.5 mt -63.7 -36.99 85.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.29 -42.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 1.6 m-20 -73.97 -10.65 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.026 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -80.39 -59.06 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.056 HD11 HG21 ' A' ' 56' ' ' ILE . 1.1 mp -51.22 -45.69 62.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -81.34 -15.51 55.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.347 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.94 -36.82 84.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.929 ' HB ' HD11 ' A' ' 70' ' ' LEU . 41.9 t -99.81 -23.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -93.98 -25.33 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.92 109.81 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.168 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.37 33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.815 ' H ' ' C ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -101.96 -6.69 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 92.42 127.91 4.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.071 ' O ' HG23 ' A' ' 24' ' ' VAL . 77.5 t80 -112.15 179.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -100.01 -152.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CD1' HG22 ' A' ' 56' ' ' ILE . 15.2 m-30 -145.96 -116.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 1.2 t30 -93.08 93.99 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -101.41 135.59 19.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.05 85.68 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.557 ' O ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -37.3 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.499 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -38.83 -102.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -87.05 -162.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.29 66.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.4 t -79.08 68.44 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -73.73 71.34 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ARG . 62.9 m -109.32 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.28 114.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.98 101.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -133.5 71.23 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' THR . 2.0 p 161.02 -53.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.328 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -40.99 -23.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.647 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -81.05 35.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -10.9 90.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.056 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -59.58 -8.03 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.831 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -113.86 -43.91 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 2.9 t70 -91.04 -27.72 18.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -91.29 -23.0 20.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.769 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -84.5 -42.54 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.6 m -70.63 -37.72 73.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 18.7 t80 -86.63 -50.38 6.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.555 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -105.4 91.48 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 63' ' ' ARG . 33.9 p -25.4 95.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.703 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -129.82 95.94 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.379 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.6 m-20 -62.04 -131.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -90.23 -17.13 28.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mmt180 -37.07 -43.57 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 1.018 ' CB ' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.14 -42.27 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.026 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.67 -42.62 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 72' ' ' MET . 1.7 pt-20 -74.98 -39.34 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.498 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -64.98 -51.06 63.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.348 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -82.07 -24.48 35.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.695 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -10.55 48.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 108.324 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.348 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -71.3 162.43 72.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -104.46 28.33 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.657 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -129.5 -1.66 5.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HA ' HG11 ' A' ' 24' ' ' VAL . . . -100.3 -19.55 16.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.5 tp10 -84.77 -76.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.917 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.3 OUTLIER -43.26 -26.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 21' ' ' ALA . 3.7 p -73.79 -44.21 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.6 m-20 -69.32 -25.6 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -62.22 -57.93 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.912 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.8 -27.32 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.575 ' HG3' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -78.05 -11.56 59.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.002 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -98.11 -43.77 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.002 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -99.29 -41.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.912 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.64 -28.52 67.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.786 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 121.99 125.11 3.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.568 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 5.8 m-20 -28.3 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.786 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.0 mmp_? -48.81 -20.25 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 69.06 135.9 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CD1' HD22 ' A' ' 27' ' ' LEU . 15.0 t80 -107.01 125.19 50.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.702 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -55.34 114.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.938 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -48.14 -98.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -105.83 -171.42 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' NZ ' ' HD2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -100.88 166.42 12.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.0 91.26 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -38.72 166.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.56 -91.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -147.9 -169.82 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.37 -83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -89.36 70.1 8.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -164.08 114.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 14.5 m -130.89 134.96 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -157.61 162.03 38.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -35.79 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -145.94 -59.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.498 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 20.3 p -86.45 68.99 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.5 -72.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.607 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -98.18 24.65 6.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.18 93.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.938 HG22 ' CD1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.46 -7.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.851 HG13 ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -112.61 -45.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -91.47 -31.23 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -86.01 -21.92 27.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.917 ' SG ' HD11 ' A' ' 23' ' ' LEU . 5.7 t -84.05 -56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -54.07 -40.75 67.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -78.74 -42.01 29.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 10.2 ttt85 -111.69 94.81 5.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -31.69 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -126.35 99.99 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.5 m-20 -55.04 -128.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.73 ' HB3' HD23 ' A' ' 70' ' ' LEU . 2.8 mt -92.18 -29.66 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -44.2 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HD2' HD11 ' A' ' 56' ' ' ILE . 7.4 mmt-85 -66.34 -43.7 85.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 110.246 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.908 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.9 -39.19 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -80.41 -29.53 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.535 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.3 mmt -59.75 -47.1 87.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.172 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -83.66 -17.17 42.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -43.82 48.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.365 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.172 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -47.98 175.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 23.7 t -101.81 -101.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.59 145.33 5.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.557 1.16 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.782 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.94 -3.03 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 0.794 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 tp10 -76.91 -51.22 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 57' ' ' VAL . 80.8 mt -33.06 -42.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -76.9 -50.63 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -67.09 -10.74 53.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.105 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -76.8 -61.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.008 HD11 HG21 ' A' ' 56' ' ' ILE . 1.3 mp -49.28 -41.81 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.033 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -82.32 -14.56 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.833 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.69 -37.33 87.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.833 HG23 ' CD2' ' A' ' 29' ' ' PHE . 69.0 t -97.64 -24.54 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -93.78 -27.5 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 1.033 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.24 109.11 0.24 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.793 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.818 ' H ' ' C ' ' A' ' 32' ' ' GLY . 14.7 ptp180 -96.64 -7.52 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.633 ' C ' ' HG2' ' A' ' 28' ' ' GLN . . . 95.2 122.57 3.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 24' ' ' VAL . 40.8 t80 -113.67 175.24 5.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 0.776 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -91.96 -131.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.928 ' CD1' HG22 ' A' ' 56' ' ' ILE . 5.0 m-85 -162.17 -110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 158.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -49.5 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 72.16 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.7 m -34.68 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.63 81.13 0.0 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.73 ' N ' ' O ' ' A' ' 42' ' ' THR . 2.0 t80 -154.76 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.48 -39.89 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -97.88 74.41 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 t -73.77 71.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -126.07 163.5 22.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.73 110.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ARG . 10.5 ptt180 -35.76 111.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 53' ' ' GLN . . . -39.47 -54.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 40.83 29.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.258 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt0 -41.78 -54.83 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.705 ' O ' HG22 ' A' ' 54' ' ' THR . 1.1 m -91.69 25.8 2.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.818 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.38 87.48 0.0 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.174 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.81 -5.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 0.811 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.884 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.89 -47.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 4.2 t0 -94.72 -31.66 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.818 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -84.1 -25.58 29.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.564 ' SG ' ' CD2' ' A' ' 23' ' ' LEU . 1.8 t -86.6 -46.29 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.702 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.2 m -58.68 -35.59 72.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 58' ' ' ASP . 5.8 m-85 -87.86 -41.29 13.33 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -104.93 92.66 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 64.7 m -36.05 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.066 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.642 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -124.87 100.79 6.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.336 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -53.61 -132.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.756 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 4.6 pp -93.74 -13.8 27.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.468 HH21 HD11 ' A' ' 67' ' ' LEU . 6.2 mmp_? -50.04 -44.06 51.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.687 ' HB3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.94 -56.77 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.105 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 1.3 pp -44.46 -34.95 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.777 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.31 -38.51 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -56.68 -51.15 69.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.237 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -84.86 -16.11 42.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.694 ' C ' ' O ' ' A' ' 73' ' ' TYR . 2.3 t -15.47 55.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.237 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -70.0 137.85 87.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 75' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.578 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -101.57 16.77 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.327 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 1.086 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 59.75 137.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.646 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -97.92 -3.25 38.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.824 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.771 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -58.41 -55.26 37.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.086 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -28.33 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 21' ' ' ALA . 2.1 p -87.41 -34.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -77.45 -14.24 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -84.75 -56.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.082 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mt -53.61 -49.84 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.945 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -61.72 -44.43 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.43 -49.27 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 70' ' ' LEU . 16.2 t -99.58 -53.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.86 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.13 -26.61 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 108.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.945 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 158.18 111.52 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.656 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.87 28.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.758 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -116.75 13.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.598 ' CA ' ' HB2' ' A' ' 28' ' ' GLN . . . 88.76 125.47 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.387 1.054 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.873 ' CD2' HD13 ' A' ' 27' ' ' LEU . 40.8 t80 -105.37 148.29 27.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -100.96 119.87 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 20.4 m-30 -58.94 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.54 ' CA ' ' HB ' ' A' ' 54' ' ' THR . 21.2 t30 -67.72 -162.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -100.52 178.72 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.8 m -34.42 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.75 89.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -158.03 134.05 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.94 -28.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.4 t -92.44 72.79 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -72.98 71.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ARG . 27.2 m -94.96 119.94 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -37.13 109.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.54 110.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -39.88 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.6 t 153.03 -22.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.663 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -32.87 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.54 ' HB ' ' CA ' ' A' ' 39' ' ' ASN . 1.7 t -66.9 28.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.663 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -73.75 3.65 33.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.29 -12.94 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -114.84 -37.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -90.59 -34.65 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.652 ' CB ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tt0 -89.74 -20.2 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 5.3 t -85.65 -40.13 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.9 m -68.73 -38.12 79.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.99 -49.01 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -105.04 93.13 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.3 m -29.51 107.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.914 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.06 94.69 4.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.1 m-20 -57.86 -132.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.075 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.86 -17.52 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 7.8 tpt180 -55.44 -48.6 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -57.41 -51.1 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.075 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.26 -37.18 4.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -75.37 -32.92 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' ARG . 2.5 mmt -63.27 -57.88 9.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.225 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.8 t80 -81.17 -28.28 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 4.5 t -3.35 48.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.225 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -38.2 98.73 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.89 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -86.85 23.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.798 ' HA2' HD21 ' A' ' 23' ' ' LEU . . . -131.93 9.1 5.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -96.56 -17.98 20.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 tt0 -85.96 -70.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -38.41 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 p -75.99 -48.56 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.11 -33.05 70.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -60.6 -55.96 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -69.35 -33.4 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.614 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -74.32 -5.2 40.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -92.41 -59.45 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.886 ' HB ' HD11 ' A' ' 70' ' ' LEU . 3.2 t -99.7 -29.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.89 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.948 ' C ' ' H ' ' A' ' 34' ' ' ARG . . . 123.06 121.16 2.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.596 ' HA ' ' CG ' ' A' ' 28' ' ' GLN . 22.0 m-20 -51.48 26.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.948 ' H ' ' C ' ' A' ' 32' ' ' GLY . 20.6 ptp180 -101.51 -13.05 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.547 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . 79.62 128.44 0.66 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.793 ' CD1' HD22 ' A' ' 27' ' ' LEU . 8.0 t80 -108.54 158.2 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.774 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 1.9 m-85 -71.18 103.9 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 27' ' ' LEU . 2.5 m-30 -75.38 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.744 ' ND2' HG23 ' A' ' 57' ' ' VAL . 1.1 p30 -75.21 -176.09 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -101.52 177.96 1.36 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 75.57 3.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 44' ' ' TYR . 55.2 m -36.27 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.78 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -158.01 132.38 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.999 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.88 -27.69 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.6 t -90.99 71.31 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -74.61 72.25 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ARG . 6.8 m -110.48 167.74 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.15 105.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ARG . 37.9 mtp180 -35.83 113.17 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . . . -39.35 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -70.33 64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 108.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' ALA . 1.5 tt0 -37.2 -34.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.791 ' O ' HG22 ' A' ' 54' ' ' THR . 1.1 m -89.65 36.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.82 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -23.4 92.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -46.78 -11.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.4 -40.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 1.3 m-20 -87.93 -31.97 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.82 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -90.34 -24.13 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.695 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 49.8 t -76.98 -48.95 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m -68.06 -35.24 77.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 68.6 t80 -82.09 -37.66 26.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.69 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -109.61 110.9 22.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.69 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.9 m -6.11 114.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.76 93.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 68' ' ' ARG . 2.0 t0 -117.05 117.02 28.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.073 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -28.55 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.634 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -43.77 -28.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -71.43 -56.8 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.073 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -41.35 -36.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.355 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -76.3 -34.05 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -61.12 -52.3 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.211 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -82.79 -17.97 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -40.41 50.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.408 1.067 . . . . 0.0 108.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.211 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -58.1 157.16 17.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.586 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -104.02 22.7 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.608 ' O ' ' CG1' ' A' ' 57' ' ' VAL . . . -109.23 -100.31 2.63 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.507 1.129 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 24' ' ' VAL . . . -49.43 -13.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -55.26 -77.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -43.54 -23.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.034 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -66.75 -47.65 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -66.96 -20.57 65.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 1.057 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -64.29 -60.2 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mp -53.01 -40.14 63.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 1.059 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -84.33 -13.86 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.74 -30.96 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.772 HG23 ' CD2' ' A' ' 29' ' ' PHE . 99.0 t -96.8 -29.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -28.47 17.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 1.059 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 163.27 104.54 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.8 p-10 -37.74 -24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mtt-85 -32.12 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 99.2 127.22 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.098 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 16.7 t80 -119.13 175.57 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.676 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 1.3 t80 -91.94 -137.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 1.034 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 9.4 m-85 -146.41 -114.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.516 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -99.04 -91.92 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 2.1 mttt -101.75 174.85 2.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.0 -35.29 3.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.607 HG22 ' H ' ' A' ' 43' ' ' GLY . 94.5 m -162.0 177.83 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 42' ' ' THR . . . -56.32 -139.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 3.8 t80 -155.32 133.69 11.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -36.72 -70.08 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.82 68.13 9.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 44' ' ' TYR . 46.1 m -167.33 116.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -118.35 63.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 5.1 mtm105 -166.11 166.83 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' ARG . 12.3 mmt85 -34.25 114.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' ARG . . . -38.27 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -98.48 108.12 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.225 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -36.62 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.77 ' O ' HG22 ' A' ' 54' ' ' THR . 1.5 m -85.51 34.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.845 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -44.76 78.21 0.0 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.794 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -60.14 -3.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.62 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -113.44 -47.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.59 -25.06 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.845 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.89 -18.79 22.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.207 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.3 m -94.25 -35.69 12.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.8 m -75.01 -39.59 61.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.92 -51.63 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.625 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -111.77 101.96 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.625 ' C ' ' O ' ' A' ' 63' ' ' ARG . 30.7 m -18.14 118.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -113.4 82.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.253 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -39.45 109.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.966 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -26.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.739 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -47.98 -33.45 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.69 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -70.95 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.057 HD22 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -36.42 -35.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.617 ' HB2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.38 -40.34 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.69 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.35 -57.53 8.66 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.157 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -57.84 -12.64 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -4.76 53.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 108.32 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.157 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.43 153.69 85.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.933 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -95.95 17.1 16.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 59.54 142.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.91 -1.26 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.739 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.7 tt0 -70.68 -56.82 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 27' ' ' LEU . 81.9 mt -29.8 -44.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 21' ' ' ALA . 2.4 p -75.81 -42.62 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t70 -68.38 -28.03 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.82 -58.25 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.111 HD22 ' CD2' ' A' ' 36' ' ' PHE . 1.2 mp -61.36 -32.99 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.694 ' HG2' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.7 -8.34 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.948 ' CE2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -91.15 -52.86 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 70' ' ' LEU . 1.2 t -101.27 -37.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.947 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -65.53 -26.79 68.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 108.272 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 118.24 125.03 3.45 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -32.69 -23.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 0.757 . . . . 0.0 109.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 ptp180 -53.9 -19.06 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.543 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 71.71 141.57 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.429 1.081 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.111 ' CD2' HD22 ' A' ' 27' ' ' LEU . 62.0 t80 -100.28 148.86 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -73.9 81.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.893 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -24.65 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -100.88 -179.49 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -100.04 175.62 2.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.02 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.638 HG23 ' H ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -37.37 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 42' ' ' THR . . . -36.13 91.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.1 t80 -152.57 -174.04 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.47 9.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 50' ' ' ARG . 7.5 t -97.52 74.53 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -72.73 70.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -151.06 163.68 38.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 110.052 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' SER . 4.9 ptm180 -167.94 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 110.22 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.84 22.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 20.7 p 179.77 52.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -62.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.774 HG23 ' CD2' ' A' ' 73' ' ' TYR . 15.3 t -96.68 26.6 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.846 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -14.52 92.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.32 -9.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.875 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.49 -41.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.6 -35.28 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.846 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tm-20 -83.06 -24.22 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.9 -41.03 11.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 108.34 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.8 m -57.61 -38.31 74.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.58 -40.64 41.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -107.32 92.03 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -37.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 66' ' ' ASP . 5.6 p -133.56 95.9 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.4 m-20 -45.6 -105.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.948 HD22 ' CE2' ' A' ' 29' ' ' PHE . 1.3 pp -96.61 -29.14 14.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.833 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.19 -39.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.384 1.053 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.676 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -72.0 -45.21 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.22 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.079 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -43.15 -40.27 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.707 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 pt-20 -83.84 -26.17 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.558 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 4.8 mmt -63.63 -48.45 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.774 ' CD2' HG23 ' A' ' 54' ' ' THR . 0.6 OUTLIER -92.65 -26.55 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -18.55 46.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 108.346 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -67.07 155.33 90.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.212 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.637 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -89.09 15.83 8.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.809 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 96.47 139.54 10.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.727 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -97.87 0.21 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 29.8 tt0 -71.32 -53.93 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.872 HD13 ' H ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -27.03 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.58 1.175 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.31 -47.61 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.641 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.36 -11.03 56.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB1' ' HG ' ' A' ' 70' ' ' LEU . . . -81.48 -55.5 4.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.731 ' N ' ' HB2' ' A' ' 70' ' ' LEU . 1.3 mt -49.33 -45.52 45.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.5 tp60 -81.43 -18.97 43.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -59.04 -36.33 74.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 67' ' ' LEU . 2.3 t -97.56 -26.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -25.01 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 164.9 109.85 0.23 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.23 34.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.842 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -102.13 -6.82 22.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.617 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 88.31 121.75 1.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.026 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 t80 -118.39 137.06 53.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.709 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -62.98 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.665 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 74.9 m-85 -146.73 -116.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.777 ' CB ' HG21 ' A' ' 54' ' ' THR . 33.3 t30 -62.79 150.07 42.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -100.04 160.75 26.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.02 -25.49 11.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.463 ' CB ' ' HG3' ' A' ' 40' ' ' LYS . 6.6 m -36.08 -33.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . -35.42 136.26 0.4 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.427 1.08 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -154.57 131.82 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.34 0.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 67.69 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -163.99 114.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -88.89 113.27 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -163.56 99.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -35.82 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.03 81.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -144.58 -49.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.276 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.6 tt0 -33.16 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -64.28 25.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.888 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -86.83 16.09 48.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.35 -7.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.625 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -106.22 -52.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -92.44 -25.55 18.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 55' ' ' GLY . 18.6 tt0 -89.21 -23.78 22.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t -86.83 -38.57 16.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -72.01 -33.97 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.252 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -91.38 -50.44 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -106.03 95.19 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 63' ' ' ARG . 11.0 m -31.42 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -108.71 100.18 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.261 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.58 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.4 OUTLIER -55.33 -133.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -101.71 -9.15 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -69.07 -35.79 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -67.94 -70.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.903 ' HG ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -49.41 -20.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.673 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -79.14 -29.79 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.5 mmt -67.77 -57.22 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.253 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.1 t80 -57.9 -18.04 20.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.722 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -8.09 51.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.253 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -72.94 145.03 86.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 18' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 32.0 p -63.1 -6.42 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 108.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.763 ' CA ' HD21 ' A' ' 23' ' ' LEU . . . -69.66 48.53 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.582 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -101.74 -18.49 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 25' ' ' ASP . 6.0 tt0 -84.48 -64.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.952 HD13 ' H ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.41 -34.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.345 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -78.29 -41.86 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.637 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -71.48 -26.48 62.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -65.49 -53.92 35.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.089 HD12 ' CZ ' ' A' ' 38' ' ' PHE . 2.6 mt -71.15 -40.18 71.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.673 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.36 -6.62 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.031 ' CE2' HG23 ' A' ' 30' ' ' VAL . 2.0 t80 -92.21 -57.26 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.031 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -100.59 -32.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.895 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -69.24 -26.82 64.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 124.52 121.72 2.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.645 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 1.6 p-10 -40.91 -20.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -62.92 -11.0 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.29 139.43 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.697 ' CE2' ' O ' ' A' ' 37' ' ' TYR . 6.4 t80 -100.86 171.3 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.697 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 26.8 t80 -82.53 91.92 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 1.345 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 4.1 m-85 -69.98 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 1.8 t-20 -77.05 -159.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.44 106.39 45.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -1.42 11.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.8 m -159.95 179.27 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.653 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.37 155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -82.24 46.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.793 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.85 -27.44 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' TYR . 7.9 t -95.51 74.77 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -71.06 70.3 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' ARG . 10.7 m -130.7 169.87 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 50' ' ' ARG . 15.3 mmp_? -36.42 107.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' ARG . 29.7 ptt180 -35.21 110.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.69 -43.69 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 p -75.33 -5.04 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -39.48 -33.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.805 ' O ' HG22 ' A' ' 54' ' ' THR . 1.2 m -89.43 36.09 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.817 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -18.33 90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.892 HG22 ' CD2' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -55.55 -5.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.27 -46.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -90.03 -32.97 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.817 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.7 tp10 -85.62 -22.95 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.671 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 19.2 t -80.41 -50.97 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.259 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' N ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -61.23 -34.05 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -86.16 -43.57 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.56 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -27.75 98.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.931 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.88 98.35 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' CYS . 38.2 m-20 -58.44 -129.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.053 HD23 ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -90.96 -31.7 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -36.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -68.38 -48.85 63.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.053 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.28 -37.1 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -77.76 -30.09 51.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -65.93 -58.64 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.228 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.2 m-30 -73.48 -26.33 60.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.06 50.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.228 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -63.44 159.13 53.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.955 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.477 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.15 19.85 4.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.876 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 57.48 135.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -91.57 -8.76 46.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.715 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.8 tt0 -45.14 -67.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.978 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.74 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.798 HG23 HD23 ' A' ' 23' ' ' LEU . 47.1 t -86.62 -56.87 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.372 1.045 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -61.8 -27.13 68.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.89 -61.49 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.025 ' C ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -72.51 -30.1 64.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.699 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 2.1 tt0 -74.04 -13.95 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.921 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -85.26 -53.91 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 111.065 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -77.6 -53.19 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -54.96 -29.87 57.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 108.332 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 125.66 120.08 2.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 1.5 t70 -26.85 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 0.792 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.72 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -51.58 -15.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . 65.45 144.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CD1' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -104.38 126.25 51.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 111.05 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 t80 -52.23 106.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.0 m-30 -67.35 -111.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.669 ' OD1' ' HB1' ' A' ' 51' ' ' ALA . 62.0 t30 -50.7 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -50.95 -51.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -38.95 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.458 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.06 114.4 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 5.2 t80 -154.42 130.55 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.32 -67.34 0.61 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -83.07 68.45 9.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 35.3 t -163.43 68.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 10.9 t -111.86 82.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -163.86 162.82 23.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.23 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 mmt180 -35.64 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.184 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 39' ' ' ASN . . . -94.95 155.12 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 1.0 OUTLIER 37.57 72.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -61.11 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.636 ' CG2' ' CD2' ' A' ' 73' ' ' TYR . 12.4 t -100.22 26.31 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.13 96.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.75 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -57.55 -15.7 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -115.46 -42.95 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 29.5 m-20 -81.65 -28.75 33.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -93.63 -22.47 18.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.4 m -80.61 -38.48 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.231 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -79.0 -34.38 44.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 108.244 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 36.4 t80 -85.04 -53.86 5.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 64' ' ' SER . 1.3 mtm180 -109.38 92.65 4.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.597 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -21.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.717 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -124.95 97.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 0.0 108.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.66 -120.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 70' ' ' LEU . 1.4 mp -92.39 -31.9 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -37.88 -57.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.244 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.704 ' O ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -59.41 -39.37 83.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.025 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -43.93 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.31 -26.06 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 77.6 mmm -60.62 -43.78 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.334 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -100.74 -18.18 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.697 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.85 49.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.238 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.334 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -62.99 111.6 5.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 1.018 ' O ' HD11 ' A' ' 23' ' ' LEU . 1.7 t -70.7 26.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 18' ' ' LEU . . . -123.72 -8.42 6.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.61 ' C ' HG13 ' A' ' 24' ' ' VAL . . . -102.9 -12.13 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.815 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -81.41 -75.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.25 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.682 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -78.3 -34.93 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -71.05 -27.17 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.993 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.24 -57.4 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.092 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -63.14 -20.25 65.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 1.5 tt0 -89.85 -12.64 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -84.56 -46.83 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.87 ' HB ' HD11 ' A' ' 70' ' ' LEU . 2.1 t -98.19 -49.03 11.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 1.009 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -55.77 -27.35 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.356 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 126.95 124.15 2.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.654 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 62.5 m-20 -36.08 -24.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' A' ' 32' ' ' GLY . 1.9 mmp_? -56.18 -16.58 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.571 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 82.81 140.31 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.772 ' CD1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 151.36 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 111.048 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.44 113.4 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE2' HG22 ' A' ' 56' ' ' ILE . 10.1 m-85 -63.92 -105.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.47 ' CG ' HG21 ' A' ' 54' ' ' THR . 34.8 t-20 -88.72 172.36 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.1 107.09 48.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.454 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.96 58.4 4.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.628 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.3 m -159.99 178.67 9.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.579 1.174 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.89 155.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -83.22 48.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.95 -27.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.1 t -89.15 68.82 8.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 71.15 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 7.8 p -138.32 164.47 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -38.25 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -35.96 109.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -82.72 -54.06 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.8 t 90.77 -17.85 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.351 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.5 tt0 -33.17 -36.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 54' ' ' THR . 0.6 OUTLIER -63.39 23.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.849 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -96.41 28.27 13.87 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.092 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -47.02 -8.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.04 -45.32 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -92.54 -29.15 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.234 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -90.94 -21.19 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.684 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 8.8 t -85.33 -50.39 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 8.4 m -63.83 -41.13 97.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 8.2 t80 -78.64 -46.15 19.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 1.1 ttt180 -104.97 92.61 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.538 ' C ' ' O ' ' A' ' 63' ' ' ARG . 9.8 m -27.61 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.709 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -119.69 97.15 5.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.4 m-20 -58.16 -131.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.924 HD12 HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.13 -19.54 22.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -34.34 66.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.61 1.194 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.01 -49.51 57.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -47.16 -36.24 8.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -79.65 -27.22 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -58.63 -52.83 64.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.28 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -95.67 -18.42 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.56 51.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.28 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -48.2 163.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.106 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -79.96 15.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 1.103 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 102.97 107.36 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -101.21 -4.34 27.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.3 tt0 -69.47 -54.02 16.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.103 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -26.83 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 21' ' ' ALA . 1.3 p -79.81 -44.73 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 22' ' ' GLU . 35.8 m-20 -63.97 -34.4 77.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.672 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.32 -54.41 46.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.059 HD12 ' O ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -69.47 -14.21 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.84 -10.48 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 1.05 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -105.29 -40.27 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 1.05 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -95.83 -40.57 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.36 -27.95 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.269 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.762 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 119.68 125.56 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.604 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 m-20 -26.9 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 0.814 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.762 ' N ' ' O ' ' A' ' 32' ' ' GLY . 4.4 mmp_? -39.44 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.559 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.82 131.4 0.15 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.542 1.152 . . . . 0.0 111.067 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.609 ' O ' ' C ' ' A' ' 37' ' ' TYR . 63.0 t80 -108.11 119.07 38.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -18.06 -91.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.892 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER 157.64 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.616 ' O ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t30 -98.54 139.94 33.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.546 ' NZ ' ' CB ' ' A' ' 75' ' ' ALA . 6.0 mtmt -100.76 107.83 50.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 24.5 m -36.1 -36.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.489 ' N ' HH11 ' A' ' 50' ' ' ARG . . . -35.71 154.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -144.02 -168.73 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.14 -84.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -90.25 68.45 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 0.721 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -164.25 114.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -150.02 80.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 6.0 mtm105 -163.84 86.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.489 HH11 ' N ' ' A' ' 43' ' ' GLY . 2.4 ptp180 -167.41 162.17 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.3 m 68.03 39.47 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.712 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -33.24 -37.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.877 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.0 m -64.85 24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.821 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -82.19 46.7 3.57 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 1.298 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -47.83 -9.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.413 0.713 . . . . 0.0 109.351 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -109.85 -52.06 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.175 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.04 -28.59 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.821 ' N ' ' O ' ' A' ' 55' ' ' GLY . 6.2 mm-40 -88.05 -19.84 26.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -77.91 -42.12 34.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 108.276 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -70.86 -36.22 72.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -87.98 -44.57 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.95 107.89 17.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 63' ' ' ARG . 6.0 m -10.43 117.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 t -76.26 91.84 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -96.85 100.21 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.014 ' HG ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -28.98 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.5 ttm180 -38.39 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.821 ' HB3' HD11 ' A' ' 56' ' ' ILE . 1.1 mtt180 -76.21 -51.97 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -39.45 -40.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.921 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.2 pt-20 -79.5 -34.0 41.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -76.26 -40.25 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 1.298 ' CE2' HD13 ' A' ' 56' ' ' ILE . 4.7 m-30 -78.9 -18.1 54.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 49.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -69.91 170.8 8.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HB3' ' CD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.457 0.17 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' A' ' 1' ' ' MET . 56.9 m-85 50.04 100.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.01 -87.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.595 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -24.25 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' PRO . 7.3 mmt -41.28 164.77 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.22 151.63 19.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.584 ' HB3' HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -162.09 54.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.981 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 m -161.69 92.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 159.36 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -161.19 -20.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.005 HG21 ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -95.81 98.39 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 72.0 m-20 -101.47 50.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.631 ' N ' ' CD ' ' A' ' 15' ' ' PRO . . . 146.22 -42.83 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.727 ' HG2' HG22 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -157.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 1.005 ' O ' HG21 ' A' ' 12' ' ' VAL . 28.8 mtm-85 -100.66 -93.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -104.21 20.81 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.0 mp -83.17 -171.1 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.616 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -101.28 21.16 14.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.333 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' ' CG ' ' A' ' 15' ' ' PRO . . . 98.03 144.67 17.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -60.13 -12.18 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -64.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 57' ' ' VAL . 5.8 mt -48.54 -27.04 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -70.59 -46.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -66.94 -16.51 64.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.186 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -70.07 -57.97 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.025 HD11 HG21 ' A' ' 56' ' ' ILE . 1.9 mp -53.07 -40.8 64.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.055 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -83.15 -13.7 55.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.014 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.7 -35.62 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.805 HG21 ' CD1' ' A' ' 67' ' ' LEU . 1.3 t -95.7 -27.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -26.76 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 1.055 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 160.71 104.44 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.8 t70 -38.41 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 32' ' ' GLY . 6.1 mmp_? -32.41 -31.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 102.05 127.91 6.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.033 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 57.3 t80 -117.81 177.7 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.656 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -102.72 -138.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.807 ' CD1' HG22 ' A' ' 56' ' ' ILE . 13.1 m-85 -146.38 -115.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CG ' ' SG ' ' A' ' 52' ' ' CYS . 5.5 t30 -82.59 83.01 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.72 104.83 41.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.5 Cg_endo -74.95 49.05 2.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 41' ' ' PRO . 24.4 m -38.26 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.73 -74.81 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 2.2 t80 -155.02 138.49 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -34.1 -72.33 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -86.28 61.5 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 0.778 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 1.3 t -170.15 64.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.9 m -162.35 153.55 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ALA . 49.8 mtm180 -38.34 114.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.84 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 73' ' ' TYR . . . -160.22 -143.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER 67.14 -72.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.325 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -37.05 -28.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 54' ' ' THR . 1.3 m -81.34 33.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.839 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.97 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.025 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -57.65 -6.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.911 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.43 -48.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -89.22 -27.56 20.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.839 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -88.8 -23.58 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.4 m -81.56 -42.14 20.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -71.8 -32.09 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -90.19 -47.5 7.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' SER . 11.2 ttt180 -102.96 92.72 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.0 m -26.4 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.702 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -125.78 97.19 5.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.2 m-20 -60.64 -137.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.014 HD13 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -95.94 -12.62 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 2.8 mtt-85 -59.69 -41.19 90.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -69.16 -56.2 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.186 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 2.1 pp -46.21 -34.28 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.941 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.23 -32.88 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.9 mmt -64.74 -54.34 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.155 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -65.55 -16.53 63.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.726 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -4.36 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.155 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.42 148.54 83.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.99 104.07 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.4 OUTLIER -35.87 151.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -116.58 89.03 26.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.6 25.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.36 37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.563 ' C ' ' O ' ' A' ' 81' ' ' LYS . 6.7 t -25.16 -70.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.547 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.5 ttm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.551 0.215 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 69.16 144.9 0.1 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.636 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -79.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.33 -68.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -99.97 108.47 51.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 67.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -79.92 57.83 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.776 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -162.02 55.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.051 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -146.49 155.33 42.46 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.3 OUTLIER 90.9 -2.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -170.85 -13.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 8' ' ' SER . 2.4 t -104.92 103.03 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.746 ' N ' HD12 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -94.92 -25.12 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.811 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 128.57 -85.21 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' H ' ' NE ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.21 53.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 m -100.66 -76.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 13' ' ' ASN . 22.7 mt -74.96 -121.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.87 19.61 6.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 131.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . -91.44 -1.53 57.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.682 ' O ' ' N ' ' A' ' 25' ' ' ASP . 5.5 tt0 -75.76 -55.36 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 27' ' ' LEU . 65.5 mt -28.85 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -76.99 -45.97 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 22' ' ' GLU . 4.9 t0 -66.87 -23.49 66.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.86 -61.49 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.067 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -64.07 -19.53 65.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.592 ' CD ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.32 -8.56 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.06 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -102.04 -45.71 5.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.06 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -96.52 -38.73 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.907 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -74.26 -27.83 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 108.303 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.824 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 117.23 125.92 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 111.055 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.592 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -27.79 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.824 ' N ' ' O ' ' A' ' 32' ' ' GLY . 23.6 mtm-85 -46.06 -22.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 68.92 140.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.664 ' HE2' ' HB3' ' A' ' 75' ' ' ALA . 2.4 t80 -101.37 164.41 11.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.607 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -80.72 85.02 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.942 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -31.21 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 52' ' ' CYS . 8.6 t-20 -103.17 -149.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 160.88 76.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.355 1.035 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.575 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.97 77.99 2.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' PRO . 2.6 m -38.99 170.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -33.43 93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 5.2 t80 -157.01 136.84 12.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -37.26 -28.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.9 t -89.47 70.52 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.66 72.3 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -79.78 119.34 22.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -35.84 109.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 ptt180 -35.23 110.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.91 23.73 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 13.2 m -129.25 29.1 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -45.19 -21.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -80.53 33.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.44 89.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.067 HG21 HD11 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -50.0 -6.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.879 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -110.17 -39.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -94.64 -39.26 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -81.58 -22.91 37.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.34 -40.55 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.5 m -57.57 -37.31 72.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -78.69 -39.76 35.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' CYS . 50.8 ttt-85 -105.65 91.5 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.9 m -35.87 94.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.543 ' O ' ' O ' ' A' ' 66' ' ' ASP . 7.7 p -135.53 94.34 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 65' ' ' CYS . 56.7 m-20 -48.25 -106.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.051 HD23 ' CD2' ' A' ' 70' ' ' LEU . 2.7 mp -94.87 -25.95 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.183 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 9.1 mtp180 -37.61 -42.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.749 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -68.21 -46.66 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.051 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -42.92 -39.59 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.726 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 75.0 mt-10 -81.29 -30.27 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.285 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -96.21 -13.55 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.726 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -35.64 50.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.285 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -77.48 160.03 75.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 17.9 Cg_endo -75.04 65.07 6.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.813 ' O ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -35.47 131.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -39.86 100.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.03 132.6 15.57 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.97 -170.55 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.556 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.98 37.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 81' ' ' LYS . 3.6 t -25.17 -69.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.561 0.219 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' O ' ' SD ' ' A' ' 1' ' ' MET . 6.8 m-85 53.6 168.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.636 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.07 -63.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.27 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.79 165.02 48.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.5 OUTLIER -132.07 134.21 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.61 55.19 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.731 ' CB ' HG21 ' A' ' 24' ' ' VAL . 33.2 p -112.55 114.51 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 96.17 29.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.228 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 12' ' ' VAL . 3.8 t80 -178.12 33.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.782 HG13 ' N ' ' A' ' 13' ' ' ASN . 7.8 p -55.69 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.782 ' N ' HG13 ' A' ' 12' ' ' VAL . 9.8 m-20 -40.4 -23.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.748 ' HA3' HD23 ' A' ' 18' ' ' LEU . . . -161.21 -165.38 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.02 -170.19 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -49.53 -21.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 18' ' ' LEU . 3.8 m -70.49 -24.52 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.748 HD23 ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -61.93 -129.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.548 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -89.85 19.33 4.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 50.73 171.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -92.1 2.12 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ALA . 33.0 tt0 -36.75 -69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -53.17 -24.29 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.766 HG11 ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -70.68 -36.69 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.98 -30.51 62.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.836 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -56.99 -53.24 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.995 ' HA ' HD13 ' A' ' 70' ' ' LEU . 1.4 mp -67.74 -29.68 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.67 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.08 -8.36 56.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -96.34 -53.08 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.879 ' HB ' HD11 ' A' ' 70' ' ' LEU . 1.6 t -95.42 -36.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.91 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -72.01 -28.52 63.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.819 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 116.94 124.43 3.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.67 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -28.44 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.819 ' N ' ' O ' ' A' ' 32' ' ' GLY . 20.0 mmt-85 -50.4 -20.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.558 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.5 141.71 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.918 ' CG ' HD22 ' A' ' 27' ' ' LEU . 4.1 t80 -92.13 157.47 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 0.728 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -71.37 56.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.748 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -8.44 -66.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -103.71 158.93 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -63.77 175.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.04 73.96 4.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -35.91 156.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.57 -90.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.56 -165.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -36.93 -86.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -86.16 64.13 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.49 77.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 64.94 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' ALA . 4.4 mmp_? -48.17 98.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.6 mtm180 -35.6 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -127.47 3.22 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 p -86.18 49.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.01 -53.56 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.921 HG23 ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -94.27 27.12 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.827 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.11 91.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.979 HG21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -55.02 -9.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -114.35 -39.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -90.59 -35.53 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tt0 -86.18 -20.8 28.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.771 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.0 t -87.22 -43.1 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 108.265 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.3 m -61.55 -39.09 89.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -81.68 -44.1 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.9 ttp180 -107.26 94.05 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' ARG . 3.3 m -33.9 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.7 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -120.65 101.15 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.0 m-20 -57.06 -131.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.081 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.2 -19.12 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -34.77 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.608 ' CG ' ' HB2' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -70.93 -49.16 48.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.081 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -44.5 -37.54 3.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -82.36 -26.44 32.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.6 mmt -64.51 -48.6 74.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 54' ' ' THR . 0.1 OUTLIER -81.8 -21.87 37.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -29.28 47.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' CYS . . . -38.14 98.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.95 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' PRO . 4.1 mp -35.44 117.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -93.15 134.74 26.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -75.01 55.79 4.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 163.1 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.94 40.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -37.49 138.18 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB3' ' CD2' ' A' ' 2' ' ' PHE . 1.1 tpt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.534 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 1' ' ' MET . 3.7 m-85 59.68 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.0 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.45 -67.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 77' ' ' LEU . 6.2 mmt -100.2 108.38 52.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.067 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.19 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.2 tm? -83.62 116.17 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.571 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -162.58 55.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.794 ' O ' HD12 ' A' ' 10' ' ' LEU . 82.5 p -140.96 88.31 2.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 91.59 29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.618 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.4 t80 -177.43 31.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 13' ' ' ASN . 10.0 p -58.84 -57.08 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.608 ' N ' HG13 ' A' ' 12' ' ' VAL . 8.4 m-20 -104.42 28.83 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.618 ' O ' ' CG ' ' A' ' 11' ' ' PHE . . . 106.56 -91.05 0.7 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.652 ' HG2' HD23 ' A' ' 18' ' ' LEU . 18.3 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.1 m -100.07 24.75 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD23 ' HG2' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -88.34 -100.51 0.09 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -100.3 19.81 15.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 42.18 101.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -53.82 -16.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.4 tt0 -45.92 -23.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.974 ' O ' HD12 ' A' ' 27' ' ' LEU . 61.5 mt -63.7 -36.99 85.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.29 -42.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 1.6 m-20 -73.97 -10.65 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.026 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -80.39 -59.06 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.056 HD11 HG21 ' A' ' 56' ' ' ILE . 1.1 mp -51.22 -45.69 62.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -81.34 -15.51 55.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.347 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.94 -36.82 84.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.929 ' HB ' HD11 ' A' ' 70' ' ' LEU . 41.9 t -99.81 -23.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -93.98 -25.33 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.92 109.81 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.168 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.37 33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.815 ' H ' ' C ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -101.96 -6.69 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 92.42 127.91 4.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.071 ' O ' HG23 ' A' ' 24' ' ' VAL . 77.5 t80 -112.15 179.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -100.01 -152.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CD1' HG22 ' A' ' 56' ' ' ILE . 15.2 m-30 -145.96 -116.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 1.2 t30 -93.08 93.99 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -101.41 135.59 19.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.05 85.68 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.557 ' O ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -37.3 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.499 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -38.83 -102.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -87.05 -162.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.29 66.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.4 t -79.08 68.44 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -73.73 71.34 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ARG . 62.9 m -109.32 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.28 114.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.98 101.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -133.5 71.23 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' THR . 2.0 p 161.02 -53.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.328 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -40.99 -23.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.647 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -81.05 35.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -10.9 90.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.056 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -59.58 -8.03 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.831 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -113.86 -43.91 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 2.9 t70 -91.04 -27.72 18.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -91.29 -23.0 20.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.769 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -84.5 -42.54 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.6 m -70.63 -37.72 73.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 18.7 t80 -86.63 -50.38 6.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.555 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -105.4 91.48 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 63' ' ' ARG . 33.9 p -25.4 95.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.703 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -129.82 95.94 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.379 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.6 m-20 -62.04 -131.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -90.23 -17.13 28.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mmt180 -37.07 -43.57 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 1.018 ' CB ' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.14 -42.27 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.026 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.67 -42.62 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 72' ' ' MET . 1.7 pt-20 -74.98 -39.34 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.498 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -64.98 -51.06 63.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.348 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -82.07 -24.48 35.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.695 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -10.55 48.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 108.324 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.348 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -71.3 162.43 72.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -74.98 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 5' ' ' MET . 0.3 OUTLIER -168.12 82.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -86.05 153.25 57.03 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 18.5 Cg_endo -74.97 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.98 157.45 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.77 37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.571 ' C ' ' O ' ' A' ' 81' ' ' LYS . 3.1 t -25.19 128.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 4.7 tpt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.502 0.191 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.2 m-85 54.45 166.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.97 -56.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.635 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.45 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -100.63 150.12 36.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -160.0 59.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.228 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.56 54.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.608 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.3 p -111.68 55.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 110.054 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 9' ' ' SER . 0.3 OUTLIER 159.1 40.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 18.0 t80 -169.87 23.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.668 ' H ' HD12 ' A' ' 18' ' ' LEU . 2.7 t -78.37 -56.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.646 1.217 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' CB ' ' HB2' ' A' ' 18' ' ' LEU . 4.5 t30 -101.43 4.63 41.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.9 ' O ' HD13 ' A' ' 18' ' ' LEU . . . 130.76 -146.08 17.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.684 ' O ' ' N ' ' A' ' 18' ' ' LEU . 18.0 Cg_endo -75.0 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 6.8 mtm105 -38.32 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.9 t -76.31 9.72 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -84.95 -170.38 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -104.46 28.33 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.657 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -129.5 -1.66 5.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HA ' HG11 ' A' ' 24' ' ' VAL . . . -100.3 -19.55 16.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.5 tp10 -84.77 -76.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.917 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.3 OUTLIER -43.26 -26.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 21' ' ' ALA . 3.7 p -73.79 -44.21 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.6 m-20 -69.32 -25.6 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -62.22 -57.93 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.912 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.8 -27.32 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.575 ' HG3' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -78.05 -11.56 59.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.002 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -98.11 -43.77 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.002 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -99.29 -41.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.912 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.64 -28.52 67.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.786 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 121.99 125.11 3.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.568 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 5.8 m-20 -28.3 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.786 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.0 mmp_? -48.81 -20.25 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 69.06 135.9 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CD1' HD22 ' A' ' 27' ' ' LEU . 15.0 t80 -107.01 125.19 50.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.702 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -55.34 114.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.938 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -48.14 -98.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -105.83 -171.42 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' NZ ' ' HD2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -100.88 166.42 12.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.0 91.26 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -38.72 166.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.56 -91.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -147.9 -169.82 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.37 -83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -89.36 70.1 8.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -164.08 114.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 14.5 m -130.89 134.96 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -157.61 162.03 38.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -35.79 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -145.94 -59.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.498 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 20.3 p -86.45 68.99 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.5 -72.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.607 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -98.18 24.65 6.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.18 93.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.938 HG22 ' CD1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.46 -7.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.851 HG13 ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -112.61 -45.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -91.47 -31.23 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -86.01 -21.92 27.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.917 ' SG ' HD11 ' A' ' 23' ' ' LEU . 5.7 t -84.05 -56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -54.07 -40.75 67.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -78.74 -42.01 29.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 10.2 ttt85 -111.69 94.81 5.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -31.69 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -126.35 99.99 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.5 m-20 -55.04 -128.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.73 ' HB3' HD23 ' A' ' 70' ' ' LEU . 2.8 mt -92.18 -29.66 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -44.2 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HD2' HD11 ' A' ' 56' ' ' ILE . 7.4 mmt-85 -66.34 -43.7 85.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 110.246 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.908 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.9 -39.19 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -80.41 -29.53 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.535 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.3 mmt -59.75 -47.1 87.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.172 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -83.66 -17.17 42.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -43.82 48.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.365 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.172 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -47.98 175.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -35.51 137.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -109.62 148.13 37.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.01 61.36 5.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.678 ' HB2' ' SD ' ' A' ' 5' ' ' MET . . . -161.91 -154.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.562 ' O ' ' C ' ' A' ' 82' ' ' SER . 4.0 ptmt -179.31 37.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.365 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 81' ' ' LYS . 29.7 t -25.4 134.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.612 ' CG ' ' CD1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.611 ' CE2' ' C ' ' A' ' 8' ' ' SER . 17.8 m-85 66.5 161.52 0.13 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 111.068 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.651 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.0 -73.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.563 1.822 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.651 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -18.43 -89.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.5 mtt -100.98 167.67 10.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.922 ' O ' HD12 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.04 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -160.39 125.97 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.611 ' C ' ' CE2' ' A' ' 2' ' ' PHE . 4.5 m -162.31 55.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.79 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.0 p -79.8 59.36 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.867 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER 160.72 38.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' O ' ' O ' ' A' ' 12' ' ' VAL . 4.7 t80 178.23 33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG13 ' N ' ' A' ' 13' ' ' ASN . 9.9 p -55.31 -130.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' N ' HG13 ' A' ' 12' ' ' VAL . 2.0 t-20 -39.83 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -179.57 -150.77 9.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.934 ' HD2' HD23 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -74.99 172.24 16.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 17' ' ' THR . 1.8 ptp85 -40.16 -27.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' PRO . 19.5 m -66.3 -49.99 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.934 HD23 ' HD2' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -45.89 -89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.622 ' HB3' HG11 ' A' ' 12' ' ' VAL . 23.7 t -101.81 -101.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.59 145.33 5.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.557 1.16 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.867 ' HB2' ' HA ' ' A' ' 10' ' ' LEU . . . -91.94 -3.03 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 0.794 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 tp10 -76.91 -51.22 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 57' ' ' VAL . 80.8 mt -33.06 -42.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -76.9 -50.63 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -67.09 -10.74 53.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.105 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -76.8 -61.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.008 HD11 HG21 ' A' ' 56' ' ' ILE . 1.3 mp -49.28 -41.81 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.033 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -82.32 -14.56 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.833 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.69 -37.33 87.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.833 HG23 ' CD2' ' A' ' 29' ' ' PHE . 69.0 t -97.64 -24.54 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -93.78 -27.5 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 1.033 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.24 109.11 0.24 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.793 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.818 ' H ' ' C ' ' A' ' 32' ' ' GLY . 14.7 ptp180 -96.64 -7.52 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.633 ' C ' ' HG2' ' A' ' 28' ' ' GLN . . . 95.2 122.57 3.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 24' ' ' VAL . 40.8 t80 -113.67 175.24 5.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 0.776 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -91.96 -131.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.928 ' CD1' HG22 ' A' ' 56' ' ' ILE . 5.0 m-85 -162.17 -110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 158.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -49.5 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 72.16 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.7 m -34.68 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.63 81.13 0.0 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.73 ' N ' ' O ' ' A' ' 42' ' ' THR . 2.0 t80 -154.76 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.48 -39.89 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -97.88 74.41 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 t -73.77 71.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -126.07 163.5 22.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.73 110.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ARG . 10.5 ptt180 -35.76 111.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 53' ' ' GLN . . . -39.47 -54.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 40.83 29.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.258 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt0 -41.78 -54.83 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 54' ' ' THR . 1.1 m -91.69 25.8 2.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.818 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.38 87.48 0.0 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.174 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.81 -5.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 0.811 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.884 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.89 -47.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 4.2 t0 -94.72 -31.66 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.818 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -84.1 -25.58 29.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.564 ' SG ' ' CD2' ' A' ' 23' ' ' LEU . 1.8 t -86.6 -46.29 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.702 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.2 m -58.68 -35.59 72.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 58' ' ' ASP . 5.8 m-85 -87.86 -41.29 13.33 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -104.93 92.66 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 64.7 m -36.05 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.066 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.642 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -124.87 100.79 6.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.336 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -53.61 -132.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.756 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 4.6 pp -93.74 -13.8 27.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.468 HH21 HD11 ' A' ' 67' ' ' LEU . 6.2 mmp_? -50.04 -44.06 51.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.687 ' HB3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.94 -56.77 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.105 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 1.3 pp -44.46 -34.95 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.777 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.31 -38.51 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -56.68 -51.15 69.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.237 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -84.86 -16.11 42.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.694 ' C ' ' O ' ' A' ' 73' ' ' TYR . 2.3 t -15.47 55.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.237 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -70.0 137.85 87.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.07 3.25 5.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -34.31 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 79' ' ' PRO . 6.1 tttp -40.35 142.16 0.78 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.458 ' HB3' ' CD ' ' A' ' 34' ' ' ARG . 18.1 Cg_endo -75.0 170.76 19.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.12 -161.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 179.54 37.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' LYS . 42.7 t -25.13 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 8.7 mmt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.512 0.196 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.551 ' CD2' ' SD ' ' A' ' 5' ' ' MET . 1.0 OUTLIER 54.12 167.57 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.03 -137.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.709 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -20.85 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.574 ' N ' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -55.5 118.59 19.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -90.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.18 57.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.56 54.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.959 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.59 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -142.42 97.08 3.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.67 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER 95.84 22.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' A' ' 12' ' ' VAL . 4.0 t80 177.45 36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.762 HG13 ' N ' ' A' ' 13' ' ' ASN . 8.4 p -56.69 -129.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.762 ' N ' HG13 ' A' ' 12' ' ' VAL . 7.8 m-20 -39.56 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -178.36 -155.28 14.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.849 ' HD2' HD23 ' A' ' 18' ' ' LEU . 18.4 Cg_endo -74.96 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -70.31 -0.79 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.419 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 16.4 m -100.13 -22.84 15.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.467 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.849 HD23 ' HD2' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -78.38 -93.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.642 ' HB3' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -101.57 16.77 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.327 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 1.086 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 59.75 137.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB1' ' HA ' ' A' ' 10' ' ' LEU . . . -97.92 -3.25 38.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.824 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.771 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -58.41 -55.26 37.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.086 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -28.33 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 21' ' ' ALA . 2.1 p -87.41 -34.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -77.45 -14.24 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -84.75 -56.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.082 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mt -53.61 -49.84 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.945 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -61.72 -44.43 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.43 -49.27 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 70' ' ' LEU . 16.2 t -99.58 -53.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.86 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.13 -26.61 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 108.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.945 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 158.18 111.52 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.656 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.87 28.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.758 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -116.75 13.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.598 ' CA ' ' HB2' ' A' ' 28' ' ' GLN . . . 88.76 125.47 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.387 1.054 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.873 ' CD2' HD13 ' A' ' 27' ' ' LEU . 40.8 t80 -105.37 148.29 27.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.709 ' CE2' ' HB1' ' A' ' 4' ' ' ALA . 6.4 t80 -100.96 119.87 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 20.4 m-30 -58.94 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.54 ' CA ' ' HB ' ' A' ' 54' ' ' THR . 21.2 t30 -67.72 -162.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -100.52 178.72 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.8 m -34.42 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.75 89.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -158.03 134.05 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.94 -28.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.4 t -92.44 72.79 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -72.98 71.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ARG . 27.2 m -94.96 119.94 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -37.13 109.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.54 110.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -39.88 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.6 t 153.03 -22.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.663 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -32.87 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.54 ' HB ' ' CA ' ' A' ' 39' ' ' ASN . 1.7 t -66.9 28.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.663 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -73.75 3.65 33.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.29 -12.94 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -114.84 -37.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -90.59 -34.65 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.652 ' CB ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tt0 -89.74 -20.2 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 5.3 t -85.65 -40.13 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.9 m -68.73 -38.12 79.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.99 -49.01 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -105.04 93.13 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.3 m -29.51 107.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.914 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.727 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.06 94.69 4.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.1 m-20 -57.86 -132.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.075 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.86 -17.52 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 7.8 tpt180 -55.44 -48.6 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -57.41 -51.1 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.075 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.26 -37.18 4.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -75.37 -32.92 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' ARG . 2.5 mmt -63.27 -57.88 9.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.225 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.8 t80 -81.17 -28.28 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 4.5 t -3.35 48.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.225 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -38.2 98.73 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.01 -10.34 21.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' PRO . 14.2 tp -35.54 99.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -72.82 -53.05 5.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 18.5 Cg_endo -74.97 149.26 36.58 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.01 -69.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.76 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 81' ' ' LYS . 11.5 t -25.15 117.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.548 0.213 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.575 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -21.39 133.69 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.5 Cg_endo -74.92 -48.04 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.586 1.835 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -31.34 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.576 ' SD ' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -50.24 175.85 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 5' ' ' MET . 18.4 Cg_endo -74.95 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.34 -178.7 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.97 54.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.795 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -94.03 60.27 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.974 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 160.22 39.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 14' ' ' GLY . 2.0 t80 -163.08 22.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 13' ' ' ASN . 2.3 p -50.0 -53.72 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 4.2 m-20 -104.12 7.93 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.609 ' O ' ' CD2' ' A' ' 11' ' ' PHE . . . 122.74 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.609 ' HG2' HD23 ' A' ' 18' ' ' LEU . 18.1 Cg_endo -75.0 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 1.022 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.73 -28.26 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.607 1.192 . . . . 0.0 110.278 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.693 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 p -85.77 16.31 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.609 HD23 ' HG2' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -92.5 -133.61 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.89 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -86.85 23.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.798 ' HA2' HD21 ' A' ' 23' ' ' LEU . . . -131.93 9.1 5.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.022 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -96.56 -17.98 20.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 tt0 -85.96 -70.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -38.41 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 p -75.99 -48.56 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.11 -33.05 70.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -60.6 -55.96 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -69.35 -33.4 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.614 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -74.32 -5.2 40.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -92.41 -59.45 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.886 ' HB ' HD11 ' A' ' 70' ' ' LEU . 3.2 t -99.7 -29.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.89 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.948 ' C ' ' H ' ' A' ' 34' ' ' ARG . . . 123.06 121.16 2.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.596 ' HA ' ' CG ' ' A' ' 28' ' ' GLN . 22.0 m-20 -51.48 26.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.948 ' H ' ' C ' ' A' ' 32' ' ' GLY . 20.6 ptp180 -101.51 -13.05 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.547 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . 79.62 128.44 0.66 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.793 ' CD1' HD22 ' A' ' 27' ' ' LEU . 8.0 t80 -108.54 158.2 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.774 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 1.9 m-85 -71.18 103.9 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 27' ' ' LEU . 2.5 m-30 -75.38 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.744 ' ND2' HG23 ' A' ' 57' ' ' VAL . 1.1 p30 -75.21 -176.09 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -101.52 177.96 1.36 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 75.57 3.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 44' ' ' TYR . 55.2 m -36.27 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.78 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CE2' ' SD ' ' A' ' 5' ' ' MET . 0.3 OUTLIER -158.01 132.38 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.999 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.88 -27.69 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.6 t -90.99 71.31 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -74.61 72.25 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ARG . 6.8 m -110.48 167.74 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.15 105.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ARG . 37.9 mtp180 -35.83 113.17 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . . . -39.35 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -70.33 64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 108.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' ALA . 1.5 tt0 -37.2 -34.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 54' ' ' THR . 1.1 m -89.65 36.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.82 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -23.4 92.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -46.78 -11.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.4 -40.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 1.3 m-20 -87.93 -31.97 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.82 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -90.34 -24.13 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.695 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 49.8 t -76.98 -48.95 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m -68.06 -35.24 77.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 68.6 t80 -82.09 -37.66 26.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.69 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -109.61 110.9 22.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.69 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.9 m -6.11 114.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.76 93.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 68' ' ' ARG . 2.0 t0 -117.05 117.02 28.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.073 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -28.55 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.634 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -43.77 -28.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -71.43 -56.8 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.073 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -41.35 -36.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.355 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -76.3 -34.05 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -61.12 -52.3 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.211 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -82.79 -17.97 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -40.41 50.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.408 1.067 . . . . 0.0 108.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.211 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -58.1 157.16 17.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.11 63.55 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -35.48 144.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -60.14 110.92 3.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.43 42.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 82' ' ' SER . 27.5 tttt -179.35 37.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 81' ' ' LYS . 17.2 t -25.07 -62.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' H3 ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.505 0.193 . . . . 0.0 110.984 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.08 162.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -81.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.415 1.745 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.632 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.24 -87.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 153.57 40.73 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.511 ' C ' HD23 ' A' ' 7' ' ' LEU . 18.1 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.882 HD22 ' HA ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -101.83 164.35 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.484 ' O ' ' OG ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -131.64 36.12 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' CG2' ' A' ' 12' ' ' VAL . 18.5 m -172.96 -162.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 19' ' ' CYS . 1.1 tm? -54.87 -18.59 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ASN . 6.9 t80 175.01 15.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.744 ' O ' HG12 ' A' ' 12' ' ' VAL . 2.1 t -53.5 85.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.882 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -80.67 -11.23 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.48 -85.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 176.98 9.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 17.8 mtm105 -100.07 12.57 36.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -91.61 -2.92 56.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -61.22 -147.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.608 ' HB3' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -104.02 22.7 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.608 ' O ' ' CG1' ' A' ' 57' ' ' VAL . . . -109.23 -100.31 2.63 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.507 1.129 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 24' ' ' VAL . . . -49.43 -13.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -55.26 -77.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -43.54 -23.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.034 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -66.75 -47.65 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -66.96 -20.57 65.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 1.057 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -64.29 -60.2 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mp -53.01 -40.14 63.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 1.059 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -84.33 -13.86 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.74 -30.96 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.772 HG23 ' CD2' ' A' ' 29' ' ' PHE . 99.0 t -96.8 -29.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -28.47 17.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 1.059 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 163.27 104.54 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.8 p-10 -37.74 -24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mtt-85 -32.12 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 99.2 127.22 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.098 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 16.7 t80 -119.13 175.57 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.676 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 1.3 t80 -91.94 -137.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 1.034 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 9.4 m-85 -146.41 -114.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.516 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -99.04 -91.92 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 2.1 mttt -101.75 174.85 2.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.0 -35.29 3.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.607 HG22 ' H ' ' A' ' 43' ' ' GLY . 94.5 m -162.0 177.83 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 42' ' ' THR . . . -56.32 -139.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 3.8 t80 -155.32 133.69 11.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -36.72 -70.08 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.82 68.13 9.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 44' ' ' TYR . 46.1 m -167.33 116.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -118.35 63.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 5.1 mtm105 -166.11 166.83 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' ARG . 12.3 mmt85 -34.25 114.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' ARG . . . -38.27 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -98.48 108.12 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.225 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -36.62 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 54' ' ' THR . 1.5 m -85.51 34.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.845 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -44.76 78.21 0.0 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.794 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -60.14 -3.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.62 ' O ' ' HB2' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -113.44 -47.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB2' ' CD2' ' A' ' 10' ' ' LEU . 18.8 t0 -93.59 -25.06 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.845 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.89 -18.79 22.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.207 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.3 m -94.25 -35.69 12.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.8 m -75.01 -39.59 61.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.92 -51.63 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.625 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -111.77 101.96 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.625 ' C ' ' O ' ' A' ' 63' ' ' ARG . 30.7 m -18.14 118.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -113.4 82.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.253 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -39.45 109.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.966 HD12 ' C ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -26.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.739 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -47.98 -33.45 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.69 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -70.95 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.057 HD22 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -36.42 -35.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.617 ' HB2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.38 -40.34 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.69 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.35 -57.53 8.66 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.157 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -57.84 -12.64 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -4.76 53.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 108.32 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.157 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.43 153.69 85.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 17.8 Cg_endo -75.07 126.25 9.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' PRO . 2.2 tp -35.53 108.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.49 -51.46 78.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 37' ' ' TYR . 18.3 Cg_endo -75.03 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.03 60.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.562 ' O ' ' C ' ' A' ' 82' ' ' SER . 3.1 tttt -179.93 37.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 81' ' ' LYS . 31.0 t -25.27 -74.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.682 ' C ' ' CG ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.503 0.192 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.682 ' CG ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 163.39 145.13 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.1 Cg_endo -74.95 -67.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.609 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -22.39 -78.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.618 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 14.3 ttp -102.5 105.48 44.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.01 117.08 4.78 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.545 1.813 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 58.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.15 55.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.774 ' O ' HD12 ' A' ' 10' ' ' LEU . 32.6 m -145.92 94.69 2.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 91.03 26.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 4.2 t80 178.01 33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.835 HG13 ' H ' ' A' ' 13' ' ' ASN . 9.8 p -55.04 -117.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.95 ' HB3' HD12 ' A' ' 18' ' ' LEU . 3.5 m120 -38.29 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 11' ' ' PHE . . . 162.33 -135.52 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.571 ' HD2' HD23 ' A' ' 18' ' ' LEU . 18.1 Cg_endo -75.02 172.9 15.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 4.2 ptp180 -52.82 -17.59 1.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -79.64 -10.55 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.95 HD12 ' HB3' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -91.24 -101.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -95.95 17.1 16.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 59.54 142.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.91 -1.26 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.739 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.7 tt0 -70.68 -56.82 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 27' ' ' LEU . 81.9 mt -29.8 -44.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 21' ' ' ALA . 2.4 p -75.81 -42.62 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t70 -68.38 -28.03 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.82 -58.25 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.111 HD22 ' CD2' ' A' ' 36' ' ' PHE . 1.2 mp -61.36 -32.99 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.694 ' HG2' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.7 -8.34 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.948 ' CE2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -91.15 -52.86 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 70' ' ' LEU . 1.2 t -101.27 -37.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.947 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -65.53 -26.79 68.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 108.272 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 118.24 125.03 3.45 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -32.69 -23.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 0.757 . . . . 0.0 109.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 ptp180 -53.9 -19.06 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.543 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 71.71 141.57 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.429 1.081 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.111 ' CD2' HD22 ' A' ' 27' ' ' LEU . 62.0 t80 -100.28 148.86 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -73.9 81.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.893 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -24.65 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -100.88 -179.49 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -100.04 175.62 2.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.02 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.638 HG23 ' H ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -37.37 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 42' ' ' THR . . . -36.13 91.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.1 t80 -152.57 -174.04 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.47 9.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 50' ' ' ARG . 7.5 t -97.52 74.53 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -72.73 70.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -151.06 163.68 38.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 110.052 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' SER . 4.9 ptm180 -167.94 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 110.22 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.84 22.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 20.7 p 179.77 52.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -62.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.774 HG23 ' CD2' ' A' ' 73' ' ' TYR . 15.3 t -96.68 26.6 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.846 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -14.52 92.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.32 -9.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.875 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.49 -41.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.6 -35.28 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.846 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tm-20 -83.06 -24.22 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.9 -41.03 11.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 108.34 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.8 m -57.61 -38.31 74.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.58 -40.64 41.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -107.32 92.03 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -37.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 66' ' ' ASP . 5.6 p -133.56 95.9 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.4 m-20 -45.6 -105.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.948 HD22 ' CE2' ' A' ' 29' ' ' PHE . 1.3 pp -96.61 -29.14 14.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.833 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.19 -39.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.384 1.053 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.676 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -72.0 -45.21 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.22 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.079 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -43.15 -40.27 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.707 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 pt-20 -83.84 -26.17 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.558 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 4.8 mmt -63.63 -48.45 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.774 ' CD2' HG23 ' A' ' 54' ' ' THR . 0.6 OUTLIER -92.65 -26.55 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -18.55 46.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 108.346 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -67.07 155.33 90.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.807 ' O ' HD12 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.01 -176.78 3.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -167.92 -168.05 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -86.47 154.0 56.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -74.97 -59.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.448 1.762 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.97 153.39 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.0 OUTLIER -179.93 37.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 81' ' ' LYS . 2.9 t -25.13 -59.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.531 0.205 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.561 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 72.4 154.4 0.15 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.07 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.26 -60.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -100.19 108.49 52.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' O ' HD22 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 67.1 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD22 ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -142.9 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.25 55.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -115.89 119.29 35.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.07 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 87.99 24.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 67.6 t80 -165.79 25.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.766 ' O ' HG12 ' A' ' 12' ' ' VAL . 0.9 OUTLIER -64.54 91.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.23 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.485 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 4.2 t-20 -72.94 -37.34 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' ASN . . . -47.83 -99.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.133 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.585 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.7 Cg_endo -74.9 144.65 30.89 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.78 38.29 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 t -100.26 -6.46 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -85.96 -139.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.637 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -89.09 15.83 8.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.809 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 96.47 139.54 10.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.727 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -97.87 0.21 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 29.8 tt0 -71.32 -53.93 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.872 ' H ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -27.03 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.58 1.175 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.31 -47.61 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.641 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.36 -11.03 56.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB1' ' HG ' ' A' ' 70' ' ' LEU . . . -81.48 -55.5 4.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.731 ' N ' ' HB2' ' A' ' 70' ' ' LEU . 1.3 mt -49.33 -45.52 45.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -81.43 -18.97 43.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -59.04 -36.33 74.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 67' ' ' LEU . 2.3 t -97.56 -26.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -25.01 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 164.9 109.85 0.23 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.23 34.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.842 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -102.13 -6.82 22.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.617 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 88.31 121.75 1.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.026 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 t80 -118.39 137.06 53.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.817 ' CD1' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -62.98 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.665 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 74.9 m-85 -146.73 -116.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.777 ' CB ' HG21 ' A' ' 54' ' ' THR . 33.3 t30 -62.79 150.07 42.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -100.04 160.75 26.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 2' ' ' PHE . 18.3 Cg_endo -75.02 -25.49 11.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.463 ' CB ' ' HG3' ' A' ' 40' ' ' LYS . 6.6 m -36.08 -33.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . -35.42 136.26 0.4 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.427 1.08 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -154.57 131.82 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.34 0.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 67.69 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -163.99 114.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -88.89 113.27 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -163.56 99.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -35.82 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.03 81.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -144.58 -49.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.276 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.6 tt0 -33.16 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -64.28 25.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.888 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -86.83 16.09 48.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.35 -7.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG22 ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -106.22 -52.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -92.44 -25.55 18.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 55' ' ' GLY . 18.6 tt0 -89.21 -23.78 22.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t -86.83 -38.57 16.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -72.01 -33.97 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.252 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -91.38 -50.44 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -106.03 95.19 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 63' ' ' ARG . 11.0 m -31.42 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.682 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -108.71 100.18 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.261 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.58 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.4 OUTLIER -55.33 -133.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -101.71 -9.15 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -69.07 -35.79 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -67.94 -70.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.903 ' HG ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -49.41 -20.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.673 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -79.14 -29.79 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.5 mmt -67.77 -57.22 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.253 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.1 t80 -57.9 -18.04 20.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.722 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -8.09 51.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.253 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -72.94 145.03 86.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.95 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.817 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -168.65 110.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.673 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.04 90.3 50.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.45 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 18.4 Cg_endo -74.94 113.36 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 78' ' ' LYS . . . -161.98 83.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.572 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 179.98 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 81' ' ' LYS . 1.2 t -25.19 -62.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.698 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.5 mpt? . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.571 0.224 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER 155.37 167.68 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.97 -91.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -30.51 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -103.4 174.73 2.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.02 -70.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD23 ' HB3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -161.38 58.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.82 56.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.79 ' O ' HD12 ' A' ' 10' ' ' LEU . 29.9 t -133.91 83.92 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.881 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER 88.81 35.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.754 ' C ' ' HB2' ' A' ' 21' ' ' ALA . 51.0 t80 -162.38 17.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.767 ' O ' HG12 ' A' ' 12' ' ' VAL . 1.2 t -54.74 89.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.3 m120 -32.61 -58.54 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.665 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -53.67 142.89 29.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HA ' ' CB ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.08 59.58 5.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.7 mtm-85 -102.27 -104.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -93.66 -68.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 10' ' ' LEU . 2.0 mm? -85.52 47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' CB ' ' HA ' ' A' ' 15' ' ' PRO . 32.0 p -63.1 -6.42 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 108.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.763 ' CA ' HD21 ' A' ' 23' ' ' LEU . . . -69.66 48.53 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.754 ' HB2' ' C ' ' A' ' 11' ' ' PHE . . . -101.74 -18.49 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 25' ' ' ASP . 6.0 tt0 -84.48 -64.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.952 ' H ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.41 -34.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.345 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -78.29 -41.86 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.637 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -71.48 -26.48 62.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -65.49 -53.92 35.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.089 HD12 ' CZ ' ' A' ' 38' ' ' PHE . 2.6 mt -71.15 -40.18 71.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.673 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.36 -6.62 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.031 ' CE2' HG23 ' A' ' 30' ' ' VAL . 2.0 t80 -92.21 -57.26 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.031 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -100.59 -32.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.895 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -69.24 -26.82 64.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 124.52 121.72 2.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.645 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 1.6 p-10 -40.91 -20.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -62.92 -11.0 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.29 139.43 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.697 ' CE2' ' O ' ' A' ' 37' ' ' TYR . 6.4 t80 -100.86 171.3 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.697 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 26.8 t80 -82.53 91.92 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 1.345 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 4.1 m-85 -69.98 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 1.8 t-20 -77.05 -159.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.44 106.39 45.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -1.42 11.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.8 m -159.95 179.27 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.653 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.37 155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -82.24 46.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.793 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.85 -27.44 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' TYR . 7.9 t -95.51 74.77 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -71.06 70.3 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' ARG . 10.7 m -130.7 169.87 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 50' ' ' ARG . 15.3 mmp_? -36.42 107.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' ARG . 29.7 ptt180 -35.21 110.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.69 -43.69 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 p -75.33 -5.04 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -39.48 -33.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 54' ' ' THR . 1.2 m -89.43 36.09 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.817 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -18.33 90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.892 HG22 ' CD2' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -55.55 -5.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.27 -46.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -90.03 -32.97 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.817 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.7 tp10 -85.62 -22.95 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.671 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 19.2 t -80.41 -50.97 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.259 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' N ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -61.23 -34.05 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -86.16 -43.57 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.56 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -27.75 98.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.931 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.713 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.88 98.35 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' CYS . 38.2 m-20 -58.44 -129.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.053 HD23 ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -90.96 -31.7 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -36.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -68.38 -48.85 63.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.053 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.28 -37.1 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -77.76 -30.09 51.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -65.93 -58.64 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.228 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.2 m-30 -73.48 -26.33 60.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.06 50.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.228 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -63.44 159.13 53.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.02 -65.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 HD11 ' O ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -35.41 98.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -78.15 -53.94 1.32 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.507 ' O ' HD11 ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.09 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.693 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -78.06 -41.74 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.572 ' O ' ' C ' ' A' ' 82' ' ' SER . 2.7 tptp -179.43 37.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 81' ' ' LYS . 5.9 t -25.19 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HB3' HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.556 0.217 . . . . 0.0 111.057 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.536 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 57.95 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.642 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.02 -50.97 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.642 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.27 -63.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.69 160.34 29.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.485 ' C ' HD22 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 -177.38 3.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 6' ' ' PRO . 4.2 mm? -125.57 72.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -162.45 55.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.981 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -153.39 81.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.047 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER 86.83 17.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 59.6 t80 -166.59 28.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.827 HG11 HD23 ' A' ' 18' ' ' LEU . 7.0 p -60.66 88.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -55.73 -19.27 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.81 -100.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.674 ' HD2' HG22 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 146.79 33.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.658 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -98.01 31.33 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.58 ' CG2' HD22 ' A' ' 18' ' ' LEU . 9.3 t -100.31 -38.39 8.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.827 HD23 HG11 ' A' ' 12' ' ' VAL . 3.2 mm? -59.14 -112.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.15 19.85 4.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.876 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 57.48 135.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' HG3' ' A' ' 16' ' ' ARG . . . -91.57 -8.76 46.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.715 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.8 tt0 -45.14 -67.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.978 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.74 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.798 HG23 HD23 ' A' ' 23' ' ' LEU . 47.1 t -86.62 -56.87 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.372 1.045 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -61.8 -27.13 68.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.89 -61.49 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.025 ' C ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -72.51 -30.1 64.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.699 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 2.1 tt0 -74.04 -13.95 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.921 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -85.26 -53.91 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 111.065 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -77.6 -53.19 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -54.96 -29.87 57.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 108.332 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 125.66 120.08 2.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 1.5 t70 -26.85 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 0.792 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.72 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -51.58 -15.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . 65.45 144.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CD1' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -104.38 126.25 51.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 111.05 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 t80 -52.23 106.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.0 m-30 -67.35 -111.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.669 ' OD1' ' HB1' ' A' ' 51' ' ' ALA . 62.0 t30 -50.7 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -50.95 -51.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -38.95 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.458 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.06 114.4 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 5.2 t80 -154.42 130.55 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.32 -67.34 0.61 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -83.07 68.45 9.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 35.3 t -163.43 68.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 10.9 t -111.86 82.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -163.86 162.82 23.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.23 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 mmt180 -35.64 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.184 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 39' ' ' ASN . . . -94.95 155.12 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 1.0 OUTLIER 37.57 72.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -61.11 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.636 ' CG2' ' CD2' ' A' ' 73' ' ' TYR . 12.4 t -100.22 26.31 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.13 96.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.75 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -57.55 -15.7 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -115.46 -42.95 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 29.5 m-20 -81.65 -28.75 33.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -93.63 -22.47 18.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.4 m -80.61 -38.48 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.231 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -79.0 -34.38 44.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 108.244 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 36.4 t80 -85.04 -53.86 5.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 64' ' ' SER . 1.3 mtm180 -109.38 92.65 4.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.597 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -21.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.717 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -124.95 97.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 0.0 108.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.66 -120.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 70' ' ' LEU . 1.4 mp -92.39 -31.9 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -37.88 -57.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.244 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.704 ' O ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -59.41 -39.37 83.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.025 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -43.93 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.31 -26.06 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 77.6 mmm -60.62 -43.78 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.334 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -100.74 -18.18 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.697 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.85 49.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.238 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.334 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -62.99 111.6 5.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.02 0.14 9.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -35.5 120.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 154.79 7.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -53.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.568 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.33 37.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.568 ' C ' ' O ' ' A' ' 81' ' ' LYS . 40.2 t -25.07 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' O ' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.466 0.174 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 58' ' ' ASP . 1.3 m-30 65.5 148.6 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.637 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.01 -90.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.637 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.35 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 5' ' ' MET . 4.0 mpp? -100.23 118.58 61.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.95 98.15 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.575 1.829 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -95.27 113.31 24.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.735 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -163.69 57.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.991 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.598 ' O ' HD23 ' A' ' 10' ' ' LEU . 84.1 p -161.08 85.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER 172.05 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -155.08 -3.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG21 ' HA ' ' A' ' 8' ' ' SER . 37.3 t -67.57 79.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.04 -53.45 3.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -124.41 -153.15 8.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.926 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 15.6 mtm105 -102.32 -33.47 9.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.543 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 26.0 p -66.35 -0.19 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -67.39 -160.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 1.018 ' O ' HD11 ' A' ' 23' ' ' LEU . 1.7 t -70.7 26.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 18' ' ' LEU . . . -123.72 -8.42 6.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.926 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -102.9 -12.13 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.815 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -81.41 -75.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.25 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.682 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -78.3 -34.93 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -71.05 -27.17 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.993 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.24 -57.4 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.092 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -63.14 -20.25 65.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 1.5 tt0 -89.85 -12.64 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -84.56 -46.83 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.87 ' HB ' HD11 ' A' ' 70' ' ' LEU . 2.1 t -98.19 -49.03 11.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 1.009 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -55.77 -27.35 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.356 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 126.95 124.15 2.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.654 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 62.5 m-20 -36.08 -24.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' A' ' 32' ' ' GLY . 1.9 mmp_? -56.18 -16.58 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' HD13 ' A' ' 77' ' ' LEU . . . 82.81 140.31 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.772 ' CD1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 151.36 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 111.048 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.44 113.4 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE2' HG22 ' A' ' 56' ' ' ILE . 10.1 m-85 -63.92 -105.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.47 ' CG ' HG21 ' A' ' 54' ' ' THR . 34.8 t-20 -88.72 172.36 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.1 107.09 48.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.96 58.4 4.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.628 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.3 m -159.99 178.67 9.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.579 1.174 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.89 155.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -83.22 48.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.95 -27.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.1 t -89.15 68.82 8.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 71.15 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 7.8 p -138.32 164.47 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -38.25 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -35.96 109.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -82.72 -54.06 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.8 t 90.77 -17.85 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.351 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.5 tt0 -33.17 -36.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 54' ' ' THR . 0.6 OUTLIER -63.39 23.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.849 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -96.41 28.27 13.87 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.092 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -47.02 -8.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.04 -45.32 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -92.54 -29.15 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.234 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -90.94 -21.19 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.684 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 8.8 t -85.33 -50.39 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.465 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 8.4 m -63.83 -41.13 97.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 8.2 t80 -78.64 -46.15 19.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 1.1 ttt180 -104.97 92.61 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.538 ' C ' ' O ' ' A' ' 63' ' ' ARG . 9.8 m -27.61 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.709 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -119.69 97.15 5.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.4 m-20 -58.16 -131.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD12 HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.13 -19.54 22.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -34.34 66.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.61 1.194 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.01 -49.51 57.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -47.16 -36.24 8.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -79.65 -27.22 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -58.63 -52.83 64.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.28 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -95.67 -18.42 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.56 51.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.28 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -48.2 163.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.97 71.6 4.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -35.59 150.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' HD12 ' A' ' 77' ' ' LEU . 8.5 ttpp -102.91 142.21 24.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -75.06 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.98 -166.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.89 37.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' LYS . 5.2 t -25.25 127.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.216 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.749 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.6 ppp? . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.546 0.212 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' MET . 93.1 m-85 -15.53 123.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.0 Cg_endo -75.06 -73.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.618 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.55 -60.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 3' ' ' PRO . 36.9 mmm -99.7 163.94 17.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.16 7.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.94 170.59 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 55.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -131.04 96.09 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 88.48 29.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 1.4 t80 -162.81 21.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.088 HG11 HD12 ' A' ' 18' ' ' LEU . 12.3 p -63.97 78.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 34.5 t30 -34.01 -63.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASN . . . 23.23 -140.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.07 -175.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 7.62 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -101.23 21.57 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.088 HD12 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -100.28 -151.02 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -79.96 15.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 1.103 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 102.97 107.36 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -101.21 -4.34 27.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.3 tt0 -69.47 -54.02 16.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.103 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -26.83 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 21' ' ' ALA . 1.3 p -79.81 -44.73 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 22' ' ' GLU . 35.8 m-20 -63.97 -34.4 77.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.672 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.32 -54.41 46.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.059 HD12 ' O ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -69.47 -14.21 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.84 -10.48 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 1.05 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -105.29 -40.27 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 1.05 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -95.83 -40.57 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.36 -27.95 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.269 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.762 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 119.68 125.56 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.604 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 m-20 -26.9 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 0.814 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.762 ' N ' ' O ' ' A' ' 32' ' ' GLY . 4.4 mmp_? -39.44 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.559 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.82 131.4 0.15 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.542 1.152 . . . . 0.0 111.067 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.609 ' O ' ' C ' ' A' ' 37' ' ' TYR . 63.0 t80 -108.11 119.07 38.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -18.06 -91.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.892 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER 157.64 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.616 ' O ' ' CE2' ' A' ' 37' ' ' TYR . 5.7 t30 -98.54 139.94 33.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.546 ' NZ ' ' CB ' ' A' ' 75' ' ' ALA . 6.0 mtmt -100.76 107.83 50.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 24.5 m -36.1 -36.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.489 ' N ' HH11 ' A' ' 50' ' ' ARG . . . -35.71 154.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -144.02 -168.73 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.14 -84.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -90.25 68.45 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 0.721 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -164.25 114.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -150.02 80.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 6.0 mtm105 -163.84 86.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.489 HH11 ' N ' ' A' ' 43' ' ' GLY . 2.4 ptp180 -167.41 162.17 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.3 m 68.03 39.47 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.712 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -33.24 -37.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.877 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.0 m -64.85 24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.821 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -82.19 46.7 3.57 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 1.298 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -47.83 -9.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.413 0.713 . . . . 0.0 109.351 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -109.85 -52.06 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.175 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.04 -28.59 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.821 ' N ' ' O ' ' A' ' 55' ' ' GLY . 6.2 mm-40 -88.05 -19.84 26.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -77.91 -42.12 34.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 108.276 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -70.86 -36.22 72.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -87.98 -44.57 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.95 107.89 17.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 63' ' ' ARG . 6.0 m -10.43 117.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 t -76.26 91.84 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -96.85 100.21 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.014 ' HG ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -28.98 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.5 ttm180 -38.39 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.821 ' HB3' HD11 ' A' ' 56' ' ' ILE . 1.1 mtt180 -76.21 -51.97 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -39.45 -40.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.921 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.2 pt-20 -79.5 -34.0 41.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -76.26 -40.25 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 1.298 ' CE2' HD13 ' A' ' 56' ' ' ILE . 4.7 m-30 -78.9 -18.1 54.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 49.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -69.91 170.8 8.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.93 120.07 5.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -167.93 120.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.23 175.24 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.01 167.48 26.94 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.01 111.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -178.67 36.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 81' ' ' LYS . 14.2 t -25.19 -54.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 57' ' ' VAL . 5.0 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -101.28 21.16 14.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.333 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.03 144.67 17.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -60.13 -12.18 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -64.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 57' ' ' VAL . 5.8 mt -48.54 -27.04 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -70.59 -46.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -66.94 -16.51 64.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.186 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -70.07 -57.97 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.025 HD11 HG21 ' A' ' 56' ' ' ILE . 1.9 mp -53.07 -40.8 64.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.055 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -83.15 -13.7 55.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.014 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.7 -35.62 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.805 HG21 ' CD1' ' A' ' 67' ' ' LEU . 1.3 t -95.7 -27.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -26.76 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 1.055 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 160.71 104.44 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.8 t70 -38.41 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 32' ' ' GLY . 6.1 mmp_? -32.41 -31.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 102.05 127.91 6.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.033 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 57.3 t80 -117.81 177.7 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.656 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -102.72 -138.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.807 ' CD1' HG22 ' A' ' 56' ' ' ILE . 13.1 m-85 -146.38 -115.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CG ' ' SG ' ' A' ' 52' ' ' CYS . 5.5 t30 -82.59 83.01 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.72 104.83 41.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.5 Cg_endo -74.95 49.05 2.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 41' ' ' PRO . 24.4 m -38.26 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.73 -74.81 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 2.2 t80 -155.02 138.49 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -34.1 -72.33 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -86.28 61.5 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 0.778 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 1.3 t -170.15 64.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.9 m -162.35 153.55 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ALA . 49.8 mtm180 -38.34 114.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.84 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 73' ' ' TYR . . . -160.22 -143.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER 67.14 -72.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.325 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -37.05 -28.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.775 ' O ' HG22 ' A' ' 54' ' ' THR . 1.3 m -81.34 33.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.839 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.97 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.025 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -57.65 -6.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.911 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.43 -48.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -89.22 -27.56 20.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.839 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -88.8 -23.58 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.4 m -81.56 -42.14 20.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -71.8 -32.09 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -90.19 -47.5 7.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' SER . 11.2 ttt180 -102.96 92.72 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.0 m -26.4 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -125.78 97.19 5.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.2 m-20 -60.64 -137.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.014 HD13 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -95.94 -12.62 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 2.8 mtt-85 -59.69 -41.19 90.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -69.16 -56.2 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.186 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 2.1 pp -46.21 -34.28 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.941 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.23 -32.88 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.9 mmt -64.74 -54.34 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.155 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -65.55 -16.53 63.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.726 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -4.36 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.155 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.42 148.54 83.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.7 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.87 19.61 6.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 131.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.698 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.44 -1.53 57.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.682 ' O ' ' N ' ' A' ' 25' ' ' ASP . 5.5 tt0 -75.76 -55.36 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 27' ' ' LEU . 65.5 mt -28.85 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -76.99 -45.97 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 22' ' ' GLU . 4.9 t0 -66.87 -23.49 66.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.86 -61.49 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.067 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -64.07 -19.53 65.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.592 ' HG2' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.32 -8.56 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.06 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -102.04 -45.71 5.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.06 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -96.52 -38.73 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.907 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -74.26 -27.83 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 108.303 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.824 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 117.23 125.92 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 111.055 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.592 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -27.79 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.824 ' N ' ' O ' ' A' ' 32' ' ' GLY . 23.6 mtm-85 -46.06 -22.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 68.92 140.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.664 ' HE2' ' HB3' ' A' ' 75' ' ' ALA . 2.4 t80 -101.37 164.41 11.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.607 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -80.72 85.02 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.942 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -31.21 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 52' ' ' CYS . 8.6 t-20 -103.17 -149.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 160.88 76.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.355 1.035 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.575 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.97 77.99 2.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' PRO . 2.6 m -38.99 170.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -33.43 93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 5.2 t80 -157.01 136.84 12.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -37.26 -28.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.9 t -89.47 70.52 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.66 72.3 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -79.78 119.34 22.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -35.84 109.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 ptt180 -35.23 110.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.91 23.73 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 13.2 m -129.25 29.1 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -45.19 -21.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -80.53 33.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.44 89.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.067 HG21 HD11 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -50.0 -6.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.879 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -110.17 -39.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -94.64 -39.26 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -81.58 -22.91 37.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.34 -40.55 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.5 m -57.57 -37.31 72.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -78.69 -39.76 35.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' CYS . 50.8 ttt-85 -105.65 91.5 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.9 m -35.87 94.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.543 ' O ' ' O ' ' A' ' 66' ' ' ASP . 7.7 p -135.53 94.34 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 65' ' ' CYS . 56.7 m-20 -48.25 -106.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.051 HD23 ' CD2' ' A' ' 70' ' ' LEU . 2.7 mp -94.87 -25.95 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.183 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 9.1 mtp180 -37.61 -42.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.749 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -68.21 -46.66 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.051 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -42.92 -39.59 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.726 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 75.0 mt-10 -81.29 -30.27 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.285 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -96.21 -13.55 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.726 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -35.64 50.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.285 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -77.48 160.03 75.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.548 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -89.85 19.33 4.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 50.73 171.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -92.1 2.12 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ALA . 33.0 tt0 -36.75 -69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -53.17 -24.29 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.766 HG11 ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -70.68 -36.69 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.98 -30.51 62.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.836 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -56.99 -53.24 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.995 ' HA ' HD13 ' A' ' 70' ' ' LEU . 1.4 mp -67.74 -29.68 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.67 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.08 -8.36 56.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -96.34 -53.08 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.879 ' HB ' HD11 ' A' ' 70' ' ' LEU . 1.6 t -95.42 -36.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.91 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -72.01 -28.52 63.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.819 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 116.94 124.43 3.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.67 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -28.44 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.819 ' N ' ' O ' ' A' ' 32' ' ' GLY . 20.0 mmt-85 -50.4 -20.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.558 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.5 141.71 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.918 ' CG ' HD22 ' A' ' 27' ' ' LEU . 4.1 t80 -92.13 157.47 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 0.728 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -71.37 56.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.748 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -8.44 -66.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -103.71 158.93 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -63.77 175.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.04 73.96 4.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -35.91 156.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.57 -90.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.56 -165.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -36.93 -86.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -86.16 64.13 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.49 77.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 64.94 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' ALA . 4.4 mmp_? -48.17 98.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.6 mtm180 -35.6 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -127.47 3.22 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 p -86.18 49.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.01 -53.56 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.921 HG23 ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -94.27 27.12 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.827 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.11 91.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.979 HG21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -55.02 -9.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -114.35 -39.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -90.59 -35.53 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tt0 -86.18 -20.8 28.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.771 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.0 t -87.22 -43.1 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 108.265 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.3 m -61.55 -39.09 89.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -81.68 -44.1 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.9 ttp180 -107.26 94.05 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' ARG . 3.3 m -33.9 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.7 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -120.65 101.15 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.0 m-20 -57.06 -131.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.081 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.2 -19.12 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -34.77 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.608 ' CG ' ' HB2' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -70.93 -49.16 48.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.081 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -44.5 -37.54 3.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -82.36 -26.44 32.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.6 mmt -64.51 -48.6 74.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 54' ' ' THR . 0.1 OUTLIER -81.8 -21.87 37.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -29.28 47.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' CYS . . . -38.14 98.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 74' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -100.3 19.81 15.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 42.18 101.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -53.82 -16.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.4 tt0 -45.92 -23.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.974 ' O ' HD12 ' A' ' 27' ' ' LEU . 61.5 mt -63.7 -36.99 85.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.29 -42.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 1.6 m-20 -73.97 -10.65 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.026 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -80.39 -59.06 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.056 HD11 HG21 ' A' ' 56' ' ' ILE . 1.1 mp -51.22 -45.69 62.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -81.34 -15.51 55.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.347 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.94 -36.82 84.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.929 ' HB ' HD11 ' A' ' 70' ' ' LEU . 41.9 t -99.81 -23.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -93.98 -25.33 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.92 109.81 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.168 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.37 33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.815 ' H ' ' C ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -101.96 -6.69 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 92.42 127.91 4.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.071 ' O ' HG23 ' A' ' 24' ' ' VAL . 77.5 t80 -112.15 179.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -100.01 -152.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CD1' HG22 ' A' ' 56' ' ' ILE . 15.2 m-30 -145.96 -116.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 1.2 t30 -93.08 93.99 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -101.41 135.59 19.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.05 85.68 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.557 ' O ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -37.3 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.499 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -38.83 -102.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -87.05 -162.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.29 66.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.4 t -79.08 68.44 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -73.73 71.34 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ARG . 62.9 m -109.32 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.28 114.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.98 101.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -133.5 71.23 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' THR . 2.0 p 161.02 -53.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.328 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -40.99 -23.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.647 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -81.05 35.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -10.9 90.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.056 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -59.58 -8.03 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.831 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -113.86 -43.91 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 2.9 t70 -91.04 -27.72 18.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -91.29 -23.0 20.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.769 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -84.5 -42.54 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.6 m -70.63 -37.72 73.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 18.7 t80 -86.63 -50.38 6.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.555 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -105.4 91.48 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 63' ' ' ARG . 33.9 p -25.4 95.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.703 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -129.82 95.94 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.379 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.6 m-20 -62.04 -131.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -90.23 -17.13 28.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mmt180 -37.07 -43.57 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 1.018 ' CB ' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.14 -42.27 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.026 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.67 -42.62 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 72' ' ' MET . 1.7 pt-20 -74.98 -39.34 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.498 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -64.98 -51.06 63.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.348 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -82.07 -24.48 35.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.695 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -10.55 48.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 108.324 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.348 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -71.3 162.43 72.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' HG ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -104.46 28.33 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.657 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -129.5 -1.66 5.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HA ' HG11 ' A' ' 24' ' ' VAL . . . -100.3 -19.55 16.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.5 tp10 -84.77 -76.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.917 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.3 OUTLIER -43.26 -26.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 21' ' ' ALA . 3.7 p -73.79 -44.21 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.6 m-20 -69.32 -25.6 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -62.22 -57.93 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.912 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.8 -27.32 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.575 ' HG3' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -78.05 -11.56 59.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.002 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -98.11 -43.77 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.002 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -99.29 -41.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.912 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.64 -28.52 67.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.786 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 121.99 125.11 3.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 5.8 m-20 -28.3 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.786 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.0 mmp_? -48.81 -20.25 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 69.06 135.9 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CD1' HD22 ' A' ' 27' ' ' LEU . 15.0 t80 -107.01 125.19 50.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.702 ' CG ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -55.34 114.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.938 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -48.14 -98.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -105.83 -171.42 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' NZ ' ' HD2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -100.88 166.42 12.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.0 91.26 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -38.72 166.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.56 -91.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -147.9 -169.82 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.37 -83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -89.36 70.1 8.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -164.08 114.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 14.5 m -130.89 134.96 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -157.61 162.03 38.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -35.79 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -145.94 -59.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.498 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 20.3 p -86.45 68.99 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.5 -72.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.607 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -98.18 24.65 6.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.18 93.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.938 HG22 ' CD1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.46 -7.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.851 HG13 ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -112.61 -45.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -91.47 -31.23 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -86.01 -21.92 27.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.917 ' SG ' HD11 ' A' ' 23' ' ' LEU . 5.7 t -84.05 -56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -54.07 -40.75 67.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -78.74 -42.01 29.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 10.2 ttt85 -111.69 94.81 5.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -31.69 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -126.35 99.99 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.5 m-20 -55.04 -128.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.73 ' HB3' HD23 ' A' ' 70' ' ' LEU . 2.8 mt -92.18 -29.66 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -44.2 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HD2' HD11 ' A' ' 56' ' ' ILE . 7.4 mmt-85 -66.34 -43.7 85.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 110.246 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.908 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.9 -39.19 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -80.41 -29.53 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.535 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.3 mmt -59.75 -47.1 87.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.172 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -83.66 -17.17 42.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -43.82 48.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.365 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.172 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -47.98 175.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 57' ' ' VAL . 23.7 t -101.81 -101.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.59 145.33 5.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.557 1.16 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.782 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -91.94 -3.03 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 0.794 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 tp10 -76.91 -51.22 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 57' ' ' VAL . 80.8 mt -33.06 -42.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -76.9 -50.63 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -67.09 -10.74 53.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.105 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -76.8 -61.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.008 HD11 HG21 ' A' ' 56' ' ' ILE . 1.3 mp -49.28 -41.81 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.033 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -82.32 -14.56 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.833 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.69 -37.33 87.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.833 HG23 ' CD2' ' A' ' 29' ' ' PHE . 69.0 t -97.64 -24.54 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -93.78 -27.5 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 1.033 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.24 109.11 0.24 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.793 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.818 ' H ' ' C ' ' A' ' 32' ' ' GLY . 14.7 ptp180 -96.64 -7.52 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.633 ' C ' ' HG2' ' A' ' 28' ' ' GLN . . . 95.2 122.57 3.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 24' ' ' VAL . 40.8 t80 -113.67 175.24 5.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 0.776 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -91.96 -131.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.928 ' CD1' HG22 ' A' ' 56' ' ' ILE . 5.0 m-85 -162.17 -110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 158.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -49.5 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 72.16 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.7 m -34.68 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.63 81.13 0.0 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.73 ' N ' ' O ' ' A' ' 42' ' ' THR . 2.0 t80 -154.76 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.48 -39.89 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -97.88 74.41 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 t -73.77 71.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -126.07 163.5 22.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.73 110.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ARG . 10.5 ptt180 -35.76 111.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 53' ' ' GLN . . . -39.47 -54.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 40.83 29.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.258 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt0 -41.78 -54.83 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.705 ' O ' HG22 ' A' ' 54' ' ' THR . 1.1 m -91.69 25.8 2.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.818 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.38 87.48 0.0 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.174 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.81 -5.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 0.811 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.884 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.89 -47.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 4.2 t0 -94.72 -31.66 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.818 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -84.1 -25.58 29.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.564 ' SG ' ' CD2' ' A' ' 23' ' ' LEU . 1.8 t -86.6 -46.29 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.702 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.2 m -58.68 -35.59 72.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 58' ' ' ASP . 5.8 m-85 -87.86 -41.29 13.33 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -104.93 92.66 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 64.7 m -36.05 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.066 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.642 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -124.87 100.79 6.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.336 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -53.61 -132.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.756 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 4.6 pp -93.74 -13.8 27.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.468 HH21 HD11 ' A' ' 67' ' ' LEU . 6.2 mmp_? -50.04 -44.06 51.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.687 ' HB3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.94 -56.77 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.105 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 1.3 pp -44.46 -34.95 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.777 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.31 -38.51 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -56.68 -51.15 69.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.237 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -84.86 -16.11 42.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.694 ' C ' ' O ' ' A' ' 73' ' ' TYR . 2.3 t -15.47 55.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.237 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -70.0 137.85 87.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 75' ' ' ALA . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.578 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -101.57 16.77 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.327 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 1.086 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 59.75 137.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.646 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -97.92 -3.25 38.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.824 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.771 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -58.41 -55.26 37.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.086 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -28.33 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 21' ' ' ALA . 2.1 p -87.41 -34.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -77.45 -14.24 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -84.75 -56.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.082 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mt -53.61 -49.84 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.945 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -61.72 -44.43 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.43 -49.27 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 70' ' ' LEU . 16.2 t -99.58 -53.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.86 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.13 -26.61 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 108.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.945 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 158.18 111.52 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.656 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.87 28.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.758 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -116.75 13.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.598 ' CA ' ' HB2' ' A' ' 28' ' ' GLN . . . 88.76 125.47 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.387 1.054 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.873 ' CD2' HD13 ' A' ' 27' ' ' LEU . 40.8 t80 -105.37 148.29 27.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -100.96 119.87 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 20.4 m-30 -58.94 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.54 ' CA ' ' HB ' ' A' ' 54' ' ' THR . 3.4 t-20 -67.72 -162.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -100.52 178.72 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.8 m -34.42 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.75 89.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -158.03 134.05 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.94 -28.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.4 t -92.44 72.79 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -72.98 71.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ARG . 27.2 m -94.96 119.94 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -37.13 109.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.54 110.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -39.88 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.6 t 153.03 -22.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.663 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -32.87 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.54 ' HB ' ' CA ' ' A' ' 39' ' ' ASN . 1.7 t -66.9 28.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.663 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -73.75 3.65 33.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.29 -12.94 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -114.84 -37.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -90.59 -34.65 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.652 ' CB ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tt0 -89.74 -20.2 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 5.3 t -85.65 -40.13 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.9 m -68.73 -38.12 79.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.99 -49.01 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -105.04 93.13 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.3 m -29.51 107.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.914 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.06 94.69 4.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.1 m-20 -57.86 -132.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.075 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.86 -17.52 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 7.8 tpt180 -55.44 -48.6 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -57.41 -51.1 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.075 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.26 -37.18 4.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -75.37 -32.92 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' ARG . 2.5 mmt -63.27 -57.88 9.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.225 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.8 t80 -81.17 -28.28 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 4.5 t -3.35 48.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.225 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -38.2 98.73 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.89 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -86.85 23.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.798 ' HA2' HD21 ' A' ' 23' ' ' LEU . . . -131.93 9.1 5.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -96.56 -17.98 20.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 tt0 -85.96 -70.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -38.41 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 p -75.99 -48.56 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.11 -33.05 70.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -60.6 -55.96 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -69.35 -33.4 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.614 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -74.32 -5.2 40.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -92.41 -59.45 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.886 ' HB ' HD11 ' A' ' 70' ' ' LEU . 3.2 t -99.7 -29.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.89 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.948 ' C ' ' H ' ' A' ' 34' ' ' ARG . . . 123.06 121.16 2.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.596 ' HA ' ' CG ' ' A' ' 28' ' ' GLN . 22.0 m-20 -51.48 26.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.948 ' H ' ' C ' ' A' ' 32' ' ' GLY . 20.6 ptp180 -101.51 -13.05 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.547 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . 79.62 128.44 0.66 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.793 ' CD1' HD22 ' A' ' 27' ' ' LEU . 8.0 t80 -108.54 158.2 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.774 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 1.9 m-85 -71.18 103.9 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 27' ' ' LEU . 2.5 m-30 -75.38 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.621 ' CG ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -75.21 -176.09 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -101.52 177.96 1.36 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 75.57 3.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 44' ' ' TYR . 55.2 m -36.27 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.78 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.562 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -158.01 132.38 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.999 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.88 -27.69 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.6 t -90.99 71.31 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -74.61 72.25 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ARG . 6.8 m -110.48 167.74 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.15 105.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ARG . 37.9 mtp180 -35.83 113.17 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . . . -39.35 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -70.33 64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 108.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' ALA . 1.5 tt0 -37.2 -34.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.791 ' O ' HG22 ' A' ' 54' ' ' THR . 1.1 m -89.65 36.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.82 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -23.4 92.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -46.78 -11.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.4 -40.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 1.3 m-20 -87.93 -31.97 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.82 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -90.34 -24.13 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.695 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 49.8 t -76.98 -48.95 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m -68.06 -35.24 77.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 68.6 t80 -82.09 -37.66 26.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.69 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -109.61 110.9 22.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.69 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.9 m -6.11 114.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.76 93.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 68' ' ' ARG . 2.0 t0 -117.05 117.02 28.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.073 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -28.55 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.634 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -43.77 -28.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -71.43 -56.8 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.073 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -41.35 -36.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.355 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -76.3 -34.05 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -61.12 -52.3 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.211 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -82.79 -17.97 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -40.41 50.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.408 1.067 . . . . 0.0 108.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.211 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -58.1 157.16 17.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.586 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -104.02 22.7 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.608 ' O ' ' CG1' ' A' ' 57' ' ' VAL . . . -109.23 -100.31 2.63 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.507 1.129 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 24' ' ' VAL . . . -49.43 -13.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -55.26 -77.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -43.54 -23.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.034 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -66.75 -47.65 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -66.96 -20.57 65.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 1.057 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -64.29 -60.2 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mp -53.01 -40.14 63.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 1.059 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -84.33 -13.86 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.74 -30.96 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.772 HG23 ' CD2' ' A' ' 29' ' ' PHE . 99.0 t -96.8 -29.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -28.47 17.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 1.059 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 163.27 104.54 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.8 p-10 -37.74 -24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mtt-85 -32.12 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 99.2 127.22 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.098 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 16.7 t80 -119.13 175.57 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.676 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 1.3 t80 -91.94 -137.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 1.034 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 9.4 m-85 -146.41 -114.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.516 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -99.04 -91.92 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 2.1 mttt -101.75 174.85 2.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.0 -35.29 3.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.607 HG22 ' H ' ' A' ' 43' ' ' GLY . 94.5 m -162.0 177.83 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 42' ' ' THR . . . -56.32 -139.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 3.8 t80 -155.32 133.69 11.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -36.72 -70.08 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.82 68.13 9.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 44' ' ' TYR . 46.1 m -167.33 116.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -118.35 63.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 5.1 mtm105 -166.11 166.83 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' ARG . 12.3 mmt85 -34.25 114.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' ARG . . . -38.27 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -98.48 108.12 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.225 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -36.62 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.77 ' O ' HG22 ' A' ' 54' ' ' THR . 1.5 m -85.51 34.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.845 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -44.76 78.21 0.0 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.794 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -60.14 -3.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.62 HG13 ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -113.44 -47.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -93.59 -25.06 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.845 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.89 -18.79 22.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.207 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.3 m -94.25 -35.69 12.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.8 m -75.01 -39.59 61.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.92 -51.63 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.625 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -111.77 101.96 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.625 ' C ' ' O ' ' A' ' 63' ' ' ARG . 30.7 m -18.14 118.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -113.4 82.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.253 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -39.45 109.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.966 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -26.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.739 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -47.98 -33.45 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.69 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -70.95 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.057 HD22 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -36.42 -35.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.617 ' HB2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.38 -40.34 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.69 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.35 -57.53 8.66 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.157 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -57.84 -12.64 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -4.76 53.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 108.32 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.157 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.43 153.69 85.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.933 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -95.95 17.1 16.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 59.54 142.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.91 -1.26 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.739 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.7 tt0 -70.68 -56.82 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 27' ' ' LEU . 81.9 mt -29.8 -44.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 21' ' ' ALA . 2.4 p -75.81 -42.62 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t70 -68.38 -28.03 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.82 -58.25 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.111 HD22 ' CD2' ' A' ' 36' ' ' PHE . 1.2 mp -61.36 -32.99 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.694 ' HG2' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.7 -8.34 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.948 ' CE2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -91.15 -52.86 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 70' ' ' LEU . 1.2 t -101.27 -37.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.947 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -65.53 -26.79 68.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 108.272 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 118.24 125.03 3.45 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -32.69 -23.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 0.757 . . . . 0.0 109.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 ptp180 -53.9 -19.06 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.543 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 71.71 141.57 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.429 1.081 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.111 ' CD2' HD22 ' A' ' 27' ' ' LEU . 62.0 t80 -100.28 148.86 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -73.9 81.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.893 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -24.65 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -100.88 -179.49 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -100.04 175.62 2.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.02 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.638 HG23 ' H ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -37.37 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 42' ' ' THR . . . -36.13 91.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.1 t80 -152.57 -174.04 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.47 9.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 50' ' ' ARG . 7.5 t -97.52 74.53 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -72.73 70.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -151.06 163.68 38.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 110.052 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' SER . 4.9 ptm180 -167.94 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 110.22 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.84 22.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 20.7 p 179.77 52.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -62.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.774 HG23 ' CD2' ' A' ' 73' ' ' TYR . 15.3 t -96.68 26.6 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.846 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -14.52 92.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.32 -9.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.875 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.49 -41.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.6 -35.28 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.846 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tm-20 -83.06 -24.22 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.9 -41.03 11.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 108.34 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.8 m -57.61 -38.31 74.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.58 -40.64 41.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -107.32 92.03 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -37.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 66' ' ' ASP . 5.6 p -133.56 95.9 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.4 m-20 -45.6 -105.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.948 HD22 ' CE2' ' A' ' 29' ' ' PHE . 1.3 pp -96.61 -29.14 14.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.833 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.19 -39.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.384 1.053 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.676 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -72.0 -45.21 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.22 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.079 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -43.15 -40.27 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.707 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 pt-20 -83.84 -26.17 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.558 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 4.8 mmt -63.63 -48.45 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.774 ' CD2' HG23 ' A' ' 54' ' ' THR . 0.6 OUTLIER -92.65 -26.55 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -18.55 46.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 108.346 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -67.07 155.33 90.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.212 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.637 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -89.09 15.83 8.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.809 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 96.47 139.54 10.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.727 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -97.87 0.21 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 29.8 tt0 -71.32 -53.93 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.872 ' H ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -27.03 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.58 1.175 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.31 -47.61 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.641 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.36 -11.03 56.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB1' ' HG ' ' A' ' 70' ' ' LEU . . . -81.48 -55.5 4.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.731 ' N ' ' HB2' ' A' ' 70' ' ' LEU . 1.3 mt -49.33 -45.52 45.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.5 tp60 -81.43 -18.97 43.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -59.04 -36.33 74.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 67' ' ' LEU . 2.3 t -97.56 -26.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -25.01 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 164.9 109.85 0.23 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.23 34.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.842 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -102.13 -6.82 22.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.617 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 88.31 121.75 1.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.026 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 t80 -118.39 137.06 53.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.709 ' O ' ' CD1' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -62.98 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.665 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 74.9 m-85 -146.73 -116.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.777 ' CB ' HG21 ' A' ' 54' ' ' THR . 33.3 t30 -62.79 150.07 42.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -100.04 160.75 26.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.02 -25.49 11.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.463 ' CB ' ' HG3' ' A' ' 40' ' ' LYS . 6.6 m -36.08 -33.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . -35.42 136.26 0.4 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.427 1.08 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -154.57 131.82 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.34 0.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 67.69 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -163.99 114.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -88.89 113.27 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -163.56 99.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -35.82 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.03 81.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -144.58 -49.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.276 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.6 tt0 -33.16 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -64.28 25.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.888 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -86.83 16.09 48.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.35 -7.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.625 HG22 ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -106.22 -52.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -92.44 -25.55 18.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 55' ' ' GLY . 18.6 tt0 -89.21 -23.78 22.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t -86.83 -38.57 16.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -72.01 -33.97 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.252 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -91.38 -50.44 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -106.03 95.19 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 63' ' ' ARG . 11.0 m -31.42 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -108.71 100.18 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.261 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.58 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.4 OUTLIER -55.33 -133.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -101.71 -9.15 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -69.07 -35.79 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -67.94 -70.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.903 ' HG ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -49.41 -20.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.673 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -79.14 -29.79 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.5 mmt -67.77 -57.22 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.253 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.1 t80 -57.9 -18.04 20.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.722 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -8.09 51.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.253 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -72.94 145.03 86.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.489 ' N ' HD22 ' A' ' 18' ' ' LEU . 2.0 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.424 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 32.0 p -63.1 -6.42 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 108.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.763 ' CA ' HD21 ' A' ' 23' ' ' LEU . . . -69.66 48.53 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.582 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -101.74 -18.49 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 25' ' ' ASP . 6.0 tt0 -84.48 -64.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.952 ' H ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.41 -34.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.345 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -78.29 -41.86 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.637 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -71.48 -26.48 62.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -65.49 -53.92 35.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.089 HD12 ' CZ ' ' A' ' 38' ' ' PHE . 2.6 mt -71.15 -40.18 71.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.673 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.36 -6.62 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.031 ' CE2' HG23 ' A' ' 30' ' ' VAL . 2.0 t80 -92.21 -57.26 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.031 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -100.59 -32.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.895 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -69.24 -26.82 64.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 124.52 121.72 2.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.645 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 1.6 p-10 -40.91 -20.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -62.92 -11.0 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.29 139.43 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.697 ' CE2' ' O ' ' A' ' 37' ' ' TYR . 6.4 t80 -100.86 171.3 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.697 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 26.8 t80 -82.53 91.92 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 1.345 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 4.1 m-85 -69.98 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 1.8 t-20 -77.05 -159.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.44 106.39 45.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -1.42 11.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.8 m -159.95 179.27 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.653 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.37 155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -82.24 46.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.793 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.85 -27.44 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' TYR . 7.9 t -95.51 74.77 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -71.06 70.3 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' ARG . 10.7 m -130.7 169.87 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 50' ' ' ARG . 15.3 mmp_? -36.42 107.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' ARG . 29.7 ptt180 -35.21 110.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.69 -43.69 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 p -75.33 -5.04 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -39.48 -33.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.805 ' O ' HG22 ' A' ' 54' ' ' THR . 1.2 m -89.43 36.09 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.817 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -18.33 90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.892 HG22 ' CD2' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -55.55 -5.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.27 -46.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -90.03 -32.97 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.817 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.7 tp10 -85.62 -22.95 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.671 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 19.2 t -80.41 -50.97 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.259 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' N ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -61.23 -34.05 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -86.16 -43.57 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.56 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -27.75 98.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.931 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.713 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.88 98.35 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' CYS . 38.2 m-20 -58.44 -129.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.053 HD23 ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -90.96 -31.7 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -36.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -68.38 -48.85 63.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.053 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.28 -37.1 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -77.76 -30.09 51.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -65.93 -58.64 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.228 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.2 m-30 -73.48 -26.33 60.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.06 50.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.228 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -63.44 159.13 53.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.955 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.477 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.15 19.85 4.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.876 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 57.48 135.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' C ' HD22 ' A' ' 23' ' ' LEU . . . -91.57 -8.76 46.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.715 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.8 tt0 -45.14 -67.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.978 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.74 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.798 HG23 HD23 ' A' ' 23' ' ' LEU . 47.1 t -86.62 -56.87 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.372 1.045 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -61.8 -27.13 68.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.89 -61.49 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.025 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -72.51 -30.1 64.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.699 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -74.04 -13.95 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.921 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -85.26 -53.91 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 111.065 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -77.6 -53.19 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -54.96 -29.87 57.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 108.332 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 125.66 120.08 2.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 1.5 t70 -26.85 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 0.792 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.72 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -51.58 -15.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . 65.45 144.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CD1' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -104.38 126.25 51.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 111.05 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 t80 -52.23 106.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.0 m-30 -67.35 -111.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.669 ' OD1' ' HB1' ' A' ' 51' ' ' ALA . 62.0 t30 -50.7 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -50.95 -51.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -38.95 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.458 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.06 114.4 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 5.2 t80 -154.42 130.55 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.32 -67.34 0.61 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -83.07 68.45 9.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 35.3 t -163.43 68.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 10.9 t -111.86 82.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -163.86 162.82 23.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.23 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 mmt180 -35.64 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.184 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 39' ' ' ASN . . . -94.95 155.12 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 1.0 OUTLIER 37.57 72.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -61.11 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.636 ' CG2' ' CD2' ' A' ' 73' ' ' TYR . 12.4 t -100.22 26.31 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.13 96.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.75 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -57.55 -15.7 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -115.46 -42.95 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 29.5 m-20 -81.65 -28.75 33.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -93.63 -22.47 18.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.4 m -80.61 -38.48 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.231 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -79.0 -34.38 44.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 108.244 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 36.4 t80 -85.04 -53.86 5.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 64' ' ' SER . 1.3 mtm180 -109.38 92.65 4.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.597 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -21.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.717 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -124.95 97.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 0.0 108.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.66 -120.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 70' ' ' LEU . 1.4 mp -92.39 -31.9 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -37.88 -57.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.244 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.704 ' O ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -59.41 -39.37 83.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.025 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -43.93 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.31 -26.06 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 77.6 mmm -60.62 -43.78 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.334 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -100.74 -18.18 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.697 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.85 49.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.238 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.334 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -62.99 111.6 5.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 1.018 ' O ' HD11 ' A' ' 23' ' ' LEU . 1.7 t -70.7 26.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 18' ' ' LEU . . . -123.72 -8.42 6.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.61 ' C ' HG13 ' A' ' 24' ' ' VAL . . . -102.9 -12.13 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.815 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -81.41 -75.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.25 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.682 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -78.3 -34.93 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -71.05 -27.17 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.993 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.24 -57.4 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.092 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -63.14 -20.25 65.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -89.85 -12.64 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -84.56 -46.83 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.87 ' HB ' HD11 ' A' ' 70' ' ' LEU . 2.1 t -98.19 -49.03 11.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 1.009 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -55.77 -27.35 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.356 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 126.95 124.15 2.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.654 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 62.5 m-20 -36.08 -24.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' A' ' 32' ' ' GLY . 1.9 mmp_? -56.18 -16.58 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.571 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 82.81 140.31 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.772 ' CD1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 151.36 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 111.048 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.44 113.4 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE2' HG22 ' A' ' 56' ' ' ILE . 10.1 m-85 -63.92 -105.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.47 ' CG ' HG21 ' A' ' 54' ' ' THR . 34.8 t-20 -88.72 172.36 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.1 107.09 48.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.454 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.96 58.4 4.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.628 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.3 m -159.99 178.67 9.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.579 1.174 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.89 155.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -83.22 48.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.95 -27.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.1 t -89.15 68.82 8.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 71.15 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 7.8 p -138.32 164.47 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -38.25 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -35.96 109.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -82.72 -54.06 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.8 t 90.77 -17.85 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.351 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.5 tt0 -33.17 -36.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 54' ' ' THR . 0.6 OUTLIER -63.39 23.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.849 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -96.41 28.27 13.87 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.092 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -47.02 -8.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.04 -45.32 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 0.5 OUTLIER -92.54 -29.15 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.234 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -90.94 -21.19 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.684 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 8.8 t -85.33 -50.39 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 8.4 m -63.83 -41.13 97.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 8.2 t80 -78.64 -46.15 19.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 1.1 ttt180 -104.97 92.61 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.538 ' C ' ' O ' ' A' ' 63' ' ' ARG . 9.8 m -27.61 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.709 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -119.69 97.15 5.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.4 m-20 -58.16 -131.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.924 HD12 HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.13 -19.54 22.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -34.34 66.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.61 1.194 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.01 -49.51 57.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -47.16 -36.24 8.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -79.65 -27.22 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -58.63 -52.83 64.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.28 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -95.67 -18.42 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.56 51.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.28 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -48.2 163.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.45 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.106 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -79.96 15.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 1.103 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 102.97 107.36 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -101.21 -4.34 27.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.3 tt0 -69.47 -54.02 16.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.103 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -26.83 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 21' ' ' ALA . 1.3 p -79.81 -44.73 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 22' ' ' GLU . 35.8 m-20 -63.97 -34.4 77.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.672 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.32 -54.41 46.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.059 HD12 ' O ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -69.47 -14.21 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.604 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.84 -10.48 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 1.05 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -105.29 -40.27 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 1.05 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -95.83 -40.57 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.36 -27.95 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.269 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.762 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 119.68 125.56 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.604 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 m-20 -26.9 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 0.814 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.762 ' N ' ' O ' ' A' ' 32' ' ' GLY . 4.4 mmp_? -39.44 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.559 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.82 131.4 0.15 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.542 1.152 . . . . 0.0 111.067 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.609 ' O ' ' C ' ' A' ' 37' ' ' TYR . 63.0 t80 -108.11 119.07 38.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -18.06 -91.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.892 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER 157.64 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.616 ' O ' ' CE2' ' A' ' 37' ' ' TYR . 13.0 t-20 -98.54 139.94 33.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.546 ' NZ ' ' CB ' ' A' ' 75' ' ' ALA . 6.0 mtmt -100.76 107.83 50.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 24.5 m -36.1 -36.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.489 ' N ' HH11 ' A' ' 50' ' ' ARG . . . -35.71 154.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -144.02 -168.73 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.14 -84.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -90.25 68.45 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 0.721 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -164.25 114.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -150.02 80.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 6.0 mtm105 -163.84 86.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.489 HH11 ' N ' ' A' ' 43' ' ' GLY . 2.4 ptp180 -167.41 162.17 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.3 m 68.03 39.47 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.712 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -33.24 -37.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.877 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.0 m -64.85 24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.821 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -82.19 46.7 3.57 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 1.298 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -47.83 -9.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.413 0.713 . . . . 0.0 109.351 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -109.85 -52.06 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.175 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.04 -28.59 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.821 ' N ' ' O ' ' A' ' 55' ' ' GLY . 6.2 mm-40 -88.05 -19.84 26.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -77.91 -42.12 34.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 108.276 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -70.86 -36.22 72.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -87.98 -44.57 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.95 107.89 17.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 63' ' ' ARG . 6.0 m -10.43 117.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 t -76.26 91.84 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -96.85 100.21 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.014 ' HG ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -28.98 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.5 ttm180 -38.39 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.821 ' HB3' HD11 ' A' ' 56' ' ' ILE . 1.1 mtt180 -76.21 -51.97 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -39.45 -40.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.921 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.2 pt-20 -79.5 -34.0 41.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -76.26 -40.25 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 1.298 ' CE2' HD13 ' A' ' 56' ' ' ILE . 4.7 m-30 -78.9 -18.1 54.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 49.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -69.91 170.8 8.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.528 ' HB3' ' CD2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.457 0.17 . . . . 0.0 111.046 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.528 ' CD2' ' HB3' ' A' ' 1' ' ' MET . 56.9 m-85 50.04 100.84 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.01 -87.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.595 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -24.25 -51.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 3' ' ' PRO . 7.3 mmt -41.28 164.77 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -160.22 151.63 19.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.584 ' HB3' HG11 ' A' ' 12' ' ' VAL . 0.3 OUTLIER -162.09 54.91 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.981 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 49.8 m -161.69 92.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 159.36 -23.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.634 ' CZ ' ' SG ' ' A' ' 61' ' ' CYS . 0.0 OUTLIER -161.19 -20.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.005 HG21 ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -95.81 98.39 7.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.429 ' N ' ' HD2' ' A' ' 15' ' ' PRO . 72.0 m-20 -101.47 50.42 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.631 ' N ' ' CD ' ' A' ' 15' ' ' PRO . . . 146.22 -42.83 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.727 ' HG2' HG22 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.01 -157.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.043 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 1.005 ' O ' HG21 ' A' ' 12' ' ' VAL . 28.8 mtm-85 -100.66 -93.53 0.28 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -104.21 20.81 17.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.92 ' O ' HG23 ' A' ' 12' ' ' VAL . 5.0 mp -83.17 -171.1 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.616 ' SG ' ' CD1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -101.28 21.16 14.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 108.333 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.484 ' HA2' ' CG ' ' A' ' 15' ' ' PRO . . . 98.03 144.67 17.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.523 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' O ' HG12 ' A' ' 24' ' ' VAL . . . -60.13 -12.18 7.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -41.17 -64.54 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.911 HD13 ' HA ' ' A' ' 57' ' ' VAL . 5.8 mt -48.54 -27.04 2.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 36' ' ' PHE . 0.5 OUTLIER -70.59 -46.39 70.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -66.94 -16.51 64.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.186 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -70.07 -57.97 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 109.375 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.025 HD11 HG21 ' A' ' 56' ' ' ILE . 1.9 mp -53.07 -40.8 64.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.055 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -83.15 -13.7 55.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.014 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -67.7 -35.62 79.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.954 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.805 HG21 ' CD1' ' A' ' 67' ' ' LEU . 1.3 t -95.7 -27.4 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.96 -26.76 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 1.055 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 160.71 104.44 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 35' ' ' GLY . 7.8 t70 -38.41 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.574 ' N ' ' O ' ' A' ' 32' ' ' GLY . 6.1 mmp_? -32.41 -31.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.117 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 102.05 127.91 6.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.565 1.165 . . . . 0.0 111.027 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.033 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 57.3 t80 -117.81 177.7 4.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.656 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -102.72 -138.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.807 ' CD1' HG22 ' A' ' 56' ' ' ILE . 13.1 m-85 -146.38 -115.15 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.437 ' CG ' ' SG ' ' A' ' 52' ' ' CYS . 5.5 t30 -82.59 83.01 7.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.578 ' HG2' ' CD2' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -102.72 104.83 41.29 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.5 Cg_endo -74.95 49.05 2.14 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.536 ' O ' ' O ' ' A' ' 41' ' ' PRO . 24.4 m -38.26 -99.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.73 -74.81 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.568 1.168 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.475 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 2.2 t80 -155.02 138.49 15.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 0.804 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -34.1 -72.33 0.1 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 t -86.28 61.5 6.87 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 0.778 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.475 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 1.3 t -170.15 64.24 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 62.9 m -162.35 153.55 17.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.003 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 51' ' ' ALA . 49.8 mtm180 -38.34 114.1 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.84 95.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.643 ' HB1' ' CZ ' ' A' ' 73' ' ' TYR . . . -160.22 -143.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER 67.14 -72.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.325 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 1.1 tt0 -37.05 -28.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 54' ' ' THR . 1.3 m -81.34 33.87 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.839 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.97 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.556 1.16 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.025 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -57.65 -6.73 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.303 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.911 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -111.43 -48.96 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -89.22 -27.56 20.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.839 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -88.8 -23.58 22.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.739 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.4 m -81.56 -42.14 20.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 108.295 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.634 ' SG ' ' CZ ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -71.8 -32.09 67.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.115 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -90.19 -47.5 7.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.547 ' O ' ' C ' ' A' ' 64' ' ' SER . 11.2 ttt180 -102.96 92.72 4.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.0 m -26.4 97.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.002 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.702 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -125.78 97.19 5.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.305 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.2 m-20 -60.64 -137.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.014 HD13 ' CE2' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -95.94 -12.62 24.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 2.8 mtt-85 -59.69 -41.19 90.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -69.16 -56.2 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.186 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 2.1 pp -46.21 -34.28 4.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.941 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -74.23 -32.88 63.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.9 mmt -64.74 -54.34 32.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.155 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.2 OUTLIER -65.55 -16.53 63.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.726 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -4.36 51.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.155 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.42 148.54 83.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.17 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.99 104.07 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.4 OUTLIER -35.87 151.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -116.58 89.03 26.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.242 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.6 25.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.563 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.36 37.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.563 ' C ' ' O ' ' A' ' 81' ' ' LYS . 6.7 t -25.16 -70.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.547 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.5 ttm . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.551 0.215 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 69.16 144.9 0.1 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.636 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -79.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.46 1.768 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.33 -68.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -99.97 108.47 51.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 67.26 5.96 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.528 1.804 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 1' ' ' MET . 0.5 OUTLIER -79.92 57.83 2.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.776 ' HB2' HG11 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -162.02 55.14 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 110.051 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -146.49 155.33 42.46 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.3 OUTLIER 90.9 -2.13 0.22 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.464 ' O ' ' CB ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -170.85 -13.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.058 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 8' ' ' SER . 2.4 t -104.92 103.03 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.746 ' N ' HD12 ' A' ' 18' ' ' LEU . 3.1 t30 -94.92 -25.12 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.811 ' O ' ' HB3' ' A' ' 21' ' ' ALA . . . 128.57 -85.21 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' NE ' ' H ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -75.21 53.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.283 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.687 HG21 HD22 ' A' ' 13' ' ' ASN . 25.4 m -100.66 -76.9 0.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 13' ' ' ASN . 22.7 mt -74.96 -121.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -91.87 19.61 6.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 108.283 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.92 131.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.811 ' HB3' ' O ' ' A' ' 14' ' ' GLY . . . -91.44 -1.53 57.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.682 ' O ' ' N ' ' A' ' 25' ' ' ASP . 5.5 tt0 -75.76 -55.36 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.97 ' O ' HD12 ' A' ' 27' ' ' LEU . 65.5 mt -28.85 -44.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -76.99 -45.97 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.342 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.682 ' N ' ' O ' ' A' ' 22' ' ' GLU . 4.9 t0 -66.87 -23.49 66.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.674 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -65.86 -61.49 2.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.067 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -64.07 -19.53 65.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.592 ' HG2' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.32 -8.56 50.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.06 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.3 OUTLIER -102.04 -45.71 5.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.06 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -96.52 -38.73 8.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.22 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.907 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -74.26 -27.83 60.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 108.303 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.824 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 117.23 125.92 3.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 111.055 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.592 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -27.79 -27.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 0.754 . . . . 0.0 109.281 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.824 ' N ' ' O ' ' A' ' 32' ' ' GLY . 23.6 mtm-85 -46.06 -22.86 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 68.92 140.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.664 ' HE2' ' HB3' ' A' ' 75' ' ' ALA . 2.4 t80 -101.37 164.41 11.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 0.757 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.607 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -80.72 85.02 6.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.942 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -31.21 -86.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.413 ' C ' ' HB2' ' A' ' 52' ' ' CYS . 8.6 t-20 -103.17 -149.33 0.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.2 160.88 76.8 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.355 1.035 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.575 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -74.97 77.99 2.99 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.575 ' O ' ' O ' ' A' ' 41' ' ' PRO . 2.6 m -38.99 170.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -33.43 93.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.061 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' THR . 5.2 t80 -157.01 136.84 12.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -37.26 -28.84 0.03 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.9 t -89.47 70.52 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.75 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.66 72.3 1.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.521 ' O ' ' CG ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -79.78 119.34 22.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -35.84 109.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 ptt180 -35.23 110.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.375 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.91 23.73 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 73' ' ' TYR . 13.2 m -129.25 29.1 5.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -45.19 -21.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -80.53 33.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.156 . . . . 0.0 110.432 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.755 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.44 89.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.463 1.102 . . . . 0.0 111.064 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.067 HG21 HD11 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -50.0 -6.12 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.755 . . . . 0.0 109.353 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.879 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -110.17 -39.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.279 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -94.64 -39.26 10.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.755 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.0 OUTLIER -81.58 -22.91 37.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.34 -40.55 12.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 108.283 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.684 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.5 m -57.57 -37.31 72.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -78.69 -39.76 35.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 65' ' ' CYS . 50.8 ttt-85 -105.65 91.5 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.243 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.9 m -35.87 94.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.543 ' O ' ' O ' ' A' ' 66' ' ' ASP . 7.7 p -135.53 94.34 3.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.543 ' O ' ' O ' ' A' ' 65' ' ' CYS . 56.7 m-20 -48.25 -106.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.24 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.051 HD23 ' CD2' ' A' ' 70' ' ' LEU . 2.7 mp -94.87 -25.95 16.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.592 1.183 . . . . 0.0 109.295 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 67' ' ' LEU . 9.1 mtp180 -37.61 -42.89 0.58 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.749 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -68.21 -46.66 70.01 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.051 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -42.92 -39.59 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.726 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 75.0 mt-10 -81.29 -30.27 34.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.57 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.285 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -96.21 -13.55 23.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 110.976 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.726 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -35.64 50.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 108.333 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.285 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -77.48 160.03 75.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 17.9 Cg_endo -75.04 65.07 6.11 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.813 HD22 ' O ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -35.47 131.94 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -39.86 100.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.03 132.6 15.57 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.43 1.753 . . . . 0.0 111.069 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.97 -170.55 2.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.556 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.98 37.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.079 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 81' ' ' LYS . 3.6 t -25.17 -69.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.561 0.219 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' O ' ' SD ' ' A' ' 1' ' ' MET . 6.8 m-85 53.6 168.59 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.105 . . . . 0.0 110.987 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.636 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.07 -63.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.27 -87.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.79 165.02 48.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 1' ' ' MET . 0.5 OUTLIER -132.07 134.21 45.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.61 55.19 0.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.935 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.731 ' CB ' HG21 ' A' ' 24' ' ' VAL . 33.2 p -112.55 114.51 27.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER 96.17 29.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.228 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' O ' ' O ' ' A' ' 12' ' ' VAL . 3.8 t80 -178.12 33.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.782 HG13 ' N ' ' A' ' 13' ' ' ASN . 7.8 p -55.69 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.782 ' N ' HG13 ' A' ' 12' ' ' VAL . 9.8 m-20 -40.4 -23.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.748 ' HA3' HD23 ' A' ' 18' ' ' LEU . . . -161.21 -165.38 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' C ' ' N ' ' A' ' 17' ' ' THR . 18.3 Cg_endo -75.02 -170.19 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -49.53 -21.34 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.175 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 18' ' ' LEU . 3.8 m -70.49 -24.52 62.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 110.411 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.748 HD23 ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -61.93 -129.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.105 . . . . 0.0 109.261 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.548 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.5 OUTLIER -89.85 19.33 4.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 108.288 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 50.73 171.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.766 ' HB1' HG11 ' A' ' 24' ' ' VAL . . . -92.1 2.12 56.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.339 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 21' ' ' ALA . 33.0 tt0 -36.75 -69.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.94 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -53.17 -24.29 10.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.766 HG11 ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -70.68 -36.69 66.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.98 -30.51 62.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.836 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -56.99 -53.24 60.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.995 ' HA ' HD13 ' A' ' 70' ' ' LEU . 1.4 mp -67.74 -29.68 68.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.67 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.08 -8.36 56.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -96.34 -53.08 3.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.879 ' HB ' HD11 ' A' ' 70' ' ' LEU . 1.6 t -95.42 -36.33 6.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.91 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -72.01 -28.52 63.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 108.315 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.819 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 116.94 124.43 3.55 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.67 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -28.44 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 0.773 . . . . 0.0 109.336 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.819 ' N ' ' O ' ' A' ' 32' ' ' GLY . 20.0 mmt-85 -50.4 -20.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.558 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.5 141.71 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.918 ' CG ' HD22 ' A' ' 27' ' ' LEU . 4.1 t80 -92.13 157.47 16.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 0.728 . . . . 0.0 111.027 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.644 ' O ' ' C ' ' A' ' 38' ' ' PHE . 0.3 OUTLIER -71.37 56.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.748 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -8.44 -66.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -103.71 158.93 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -63.77 175.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.4 Cg_endo -75.04 73.96 4.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.445 1.76 . . . . 0.0 111.034 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -35.91 156.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.385 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.57 -90.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.56 -165.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -36.93 -86.33 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -86.16 64.13 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 0.746 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.49 77.64 0.22 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.539 1.149 . . . . 0.0 109.977 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.28 64.94 4.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 51' ' ' ALA . 4.4 mmp_? -48.17 98.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 49' ' ' ARG . 7.6 mtm180 -35.6 95.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -127.47 3.22 6.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.24 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' GLY . 19.3 p -86.18 49.76 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.01 -53.56 3.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.921 HG23 ' CE2' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -94.27 27.12 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.827 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.11 91.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.472 1.107 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.979 HG21 HD11 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -55.02 -9.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.348 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -114.35 -39.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.362 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -90.59 -35.53 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.827 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.5 tt0 -86.18 -20.8 28.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.771 ' SG ' HD11 ' A' ' 23' ' ' LEU . 9.0 t -87.22 -43.1 12.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 108.265 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.3 m -61.55 -39.09 89.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -81.68 -44.1 17.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.9 ttp180 -107.26 94.05 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 63' ' ' ARG . 3.3 m -33.9 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.7 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -120.65 101.15 7.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.0 m-20 -57.06 -131.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.081 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.2 -19.12 22.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -34.77 63.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.608 ' CG ' ' HB2' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -70.93 -49.16 48.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 110.288 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.081 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -44.5 -37.54 3.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -82.36 -26.44 32.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.295 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.6 mmt -64.51 -48.6 74.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 54' ' ' THR . 0.1 OUTLIER -81.8 -21.87 37.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -29.28 47.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 108.297 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 74' ' ' CYS . . . -38.14 98.93 0.18 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.95 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.46 1.769 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' PRO . 4.1 mp -35.44 117.43 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.229 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -93.15 134.74 26.64 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.367 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -75.01 55.79 4.06 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 163.1 29.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.94 40.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 81' ' ' LYS . 0.2 OUTLIER -37.49 138.18 0.36 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB3' ' CD2' ' A' ' 2' ' ' PHE . 1.1 tpt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.534 0.207 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.495 ' CD2' ' HB3' ' A' ' 1' ' ' MET . 3.7 m-85 59.68 148.68 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.639 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.0 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.464 1.771 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.639 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.45 -67.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.62 ' SD ' HD13 ' A' ' 77' ' ' LEU . 6.2 mmt -100.2 108.38 52.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 111.067 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -169.19 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.455 1.766 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.449 ' HA ' HD22 ' A' ' 7' ' ' LEU . 1.2 tm? -83.62 116.17 22.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.241 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.571 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -162.58 55.44 0.21 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.794 ' O ' HD12 ' A' ' 10' ' ' LEU . 82.5 p -140.96 88.31 2.17 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.964 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 91.59 29.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.32 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.618 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 3.4 t80 -177.43 31.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 13' ' ' ASN . 10.0 p -58.84 -57.08 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.608 ' N ' HG13 ' A' ' 12' ' ' VAL . 8.4 m-20 -104.42 28.83 6.57 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.435 1.084 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.618 ' O ' ' CG ' ' A' ' 11' ' ' PHE . . . 106.56 -91.05 0.7 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.652 ' HG2' HD23 ' A' ' 18' ' ' LEU . 18.3 Cg_endo -75.02 128.79 11.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 0.4 OUTLIER -49.79 -21.44 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.1 m -100.07 24.75 8.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.652 HD23 ' HG2' ' A' ' 15' ' ' PRO . 0.4 OUTLIER -88.34 -100.51 0.09 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -100.3 19.81 15.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.274 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 42.18 101.21 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.761 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -53.82 -16.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.728 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 7.4 tt0 -45.92 -23.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.974 ' O ' HD12 ' A' ' 27' ' ' LEU . 61.5 mt -63.7 -36.99 85.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.071 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.29 -42.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.663 ' O ' ' CB ' ' A' ' 29' ' ' PHE . 1.6 m-20 -73.97 -10.65 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.026 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -80.39 -59.06 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.056 HD11 HG21 ' A' ' 56' ' ' ILE . 1.1 mp -51.22 -45.69 62.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -81.34 -15.51 55.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.347 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -62.94 -36.82 84.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.929 ' HB ' HD11 ' A' ' 70' ' ' LEU . 41.9 t -99.81 -23.55 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.522 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -93.98 -25.33 17.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 108.366 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.92 109.81 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.568 1.168 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.37 33.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.815 ' H ' ' C ' ' A' ' 32' ' ' GLY . 1.7 mmp_? -101.96 -6.69 23.15 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 92.42 127.91 4.39 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.071 ' O ' HG23 ' A' ' 24' ' ' VAL . 77.5 t80 -112.15 179.11 4.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 0.77 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.65 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -100.01 -152.86 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.039 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CD1' HG22 ' A' ' 56' ' ' ILE . 15.2 m-30 -145.96 -116.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' A' ' 39' ' ' ASN . 1.2 t30 -93.08 93.99 8.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -101.41 135.59 19.81 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.05 85.68 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.557 ' O ' ' O ' ' A' ' 43' ' ' GLY . 0.2 OUTLIER -37.3 159.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.499 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.557 ' O ' ' O ' ' A' ' 42' ' ' THR . . . -38.83 -102.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.52 1.137 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -87.05 -162.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.79 . . . . 0.0 110.973 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.29 66.99 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.525 1.141 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.567 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.4 t -79.08 68.44 5.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 41.6 t -73.73 71.34 1.44 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 49' ' ' ARG . 62.9 m -109.32 173.27 6.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.046 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.28 114.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -33.98 101.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.49 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -133.5 71.23 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 54' ' ' THR . 2.0 p 161.02 -53.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 108.328 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -40.99 -23.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.647 ' O ' ' C ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -81.05 35.17 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -10.9 90.71 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.532 1.145 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.056 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -59.58 -8.03 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.353 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.831 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -113.86 -43.91 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 2.9 t70 -91.04 -27.72 18.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.381 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.1 OUTLIER -91.29 -23.0 20.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.769 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -84.5 -42.54 15.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.6 m -70.63 -37.72 73.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 108.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 18.7 t80 -86.63 -50.38 6.85 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.555 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -105.4 91.48 3.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.252 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 63' ' ' ARG . 33.9 p -25.4 95.5 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.703 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -129.82 95.94 4.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 108.379 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 65' ' ' CYS . 6.6 m-20 -62.04 -131.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.816 HD23 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -90.23 -17.13 28.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mmt180 -37.07 -43.57 0.49 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 1.018 ' CB ' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -70.14 -42.27 72.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.258 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.026 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -43.67 -42.62 5.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 72' ' ' MET . 1.7 pt-20 -74.98 -39.34 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.075 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.498 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -64.98 -51.06 63.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 110.991 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.348 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -82.07 -24.48 35.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.695 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.5 OUTLIER -10.55 48.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.525 1.141 . . . . 0.0 108.324 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.348 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -71.3 162.43 72.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.1 Cg_endo -74.98 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.985 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.62 HD13 ' SD ' ' A' ' 5' ' ' MET . 0.3 OUTLIER -168.12 82.84 0.18 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.469 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -86.05 153.25 57.03 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.265 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.469 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 18.5 Cg_endo -74.97 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.458 1.768 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.98 157.45 23.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.571 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -179.77 37.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.571 ' C ' ' O ' ' A' ' 81' ' ' LYS . 3.1 t -25.19 128.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' CB ' ' HB2' ' A' ' 7' ' ' LEU . 4.7 tpt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.502 0.191 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' MET . 6.2 m-85 54.45 166.16 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.635 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -74.97 -56.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.635 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.45 -87.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.678 ' SD ' ' HB2' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -100.63 150.12 36.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.963 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.464 1.771 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HB2' ' CB ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -160.0 59.59 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.228 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.56 54.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.608 ' O ' HD12 ' A' ' 10' ' ' LEU . 3.3 p -111.68 55.74 0.66 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.44 1.088 . . . . 0.0 110.054 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 9' ' ' SER . 0.3 OUTLIER 159.1 40.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.605 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 18.0 t80 -169.87 23.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.668 ' H ' HD12 ' A' ' 18' ' ' LEU . 2.7 t -78.37 -56.87 6.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.646 1.217 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' CB ' ' HB2' ' A' ' 18' ' ' LEU . 4.5 t30 -101.43 4.63 41.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.9 ' O ' HD13 ' A' ' 18' ' ' LEU . . . 130.76 -146.08 17.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.684 ' O ' ' N ' ' A' ' 18' ' ' LEU . 18.0 Cg_endo -75.0 -172.66 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 6.8 mtm105 -38.32 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' PRO . 1.9 t -76.31 9.72 2.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.345 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 14' ' ' GLY . 0.3 OUTLIER -84.95 -170.38 3.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.581 ' O ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -104.46 28.33 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.657 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -129.5 -1.66 5.54 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HA ' HG11 ' A' ' 24' ' ' VAL . . . -100.3 -19.55 16.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 109.28 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.536 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.5 tp10 -84.77 -76.41 0.31 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.917 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.3 OUTLIER -43.26 -26.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.792 HG11 ' HA ' ' A' ' 21' ' ' ALA . 3.7 p -73.79 -44.21 52.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.6 m-20 -69.32 -25.6 64.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -62.22 -57.93 9.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.912 ' O ' ' CB ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -64.8 -27.32 68.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.422 1.076 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.575 ' HG3' ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -78.05 -11.56 59.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.002 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -98.11 -43.77 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.118 . . . . 0.0 110.965 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.002 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -99.29 -41.42 9.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.912 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -67.64 -28.52 67.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 108.284 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.786 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 121.99 125.11 3.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.568 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 5.8 m-20 -28.3 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.786 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.0 mmp_? -48.81 -20.25 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 69.06 135.9 0.07 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.718 ' CD1' HD22 ' A' ' 27' ' ' LEU . 15.0 t80 -107.01 125.19 50.69 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 0.715 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.702 ' O ' ' CG ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -55.34 114.62 1.88 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.938 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -48.14 -98.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.498 ' OD1' ' CB ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -105.83 -171.42 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.251 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' NZ ' ' HD2' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -100.88 166.42 12.49 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.531 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.3 Cg_endo -75.0 91.26 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.531 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -38.72 166.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.56 -91.45 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -147.9 -169.82 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.37 -83.54 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -89.36 70.1 8.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 m -164.08 114.07 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' HD3' ' A' ' 49' ' ' ARG . 14.5 m -130.89 134.96 47.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.958 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -157.61 162.03 38.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -35.79 97.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' ARG . . . -145.94 -59.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.498 ' CB ' ' OD1' ' A' ' 39' ' ' ASN . 20.3 p -86.45 68.99 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.5 -72.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.607 HG22 ' HE ' ' A' ' 69' ' ' ARG . 0.2 OUTLIER -98.18 24.65 6.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.836 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -16.18 93.35 0.01 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.472 1.107 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.938 HG22 ' CD1' ' A' ' 38' ' ' PHE . 0.9 OUTLIER -58.46 -7.6 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.851 HG13 ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -112.61 -45.56 5.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -91.47 -31.23 16.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.836 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -86.01 -21.92 27.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.917 ' SG ' HD11 ' A' ' 23' ' ' LEU . 5.7 t -84.05 -56.1 3.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -54.07 -40.75 67.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 108.28 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -78.74 -42.01 29.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 10.2 ttt85 -111.69 94.81 5.14 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -31.69 97.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 110.045 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -126.35 99.99 6.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.307 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.563 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.5 m-20 -55.04 -128.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.73 ' HB3' HD23 ' A' ' 70' ' ' LEU . 2.8 mt -92.18 -29.66 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.43 -44.2 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.356 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.755 ' HD2' HD11 ' A' ' 56' ' ' ILE . 7.4 mmt-85 -66.34 -43.7 85.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 110.246 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.908 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -45.9 -39.19 8.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -80.41 -29.53 37.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.535 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 1.3 mmt -59.75 -47.1 87.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.172 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.7 OUTLIER -83.66 -17.17 42.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -43.82 48.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 108.365 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.172 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -47.98 175.79 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.779 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.2 Cg_endo -75.07 172.96 15.34 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -35.51 137.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -109.62 148.13 37.51 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.01 61.36 5.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.678 ' HB2' ' SD ' ' A' ' 5' ' ' MET . . . -161.91 -154.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.562 ' O ' ' C ' ' A' ' 82' ' ' SER . 4.0 ptmt -179.31 37.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.365 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 81' ' ' LYS . 29.7 t -25.4 134.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.612 ' CG ' ' CD1' ' A' ' 37' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.535 0.207 . . . . 0.0 110.995 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.611 ' CE2' ' C ' ' A' ' 8' ' ' SER . 17.8 m-85 66.5 161.52 0.13 Allowed Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.097 . . . . 0.0 111.068 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.651 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.0 -73.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.563 1.822 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.651 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -18.43 -89.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 3.5 mtt -100.98 167.67 10.4 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.922 ' O ' HD12 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -75.04 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.922 HD12 ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -160.39 125.97 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.611 ' C ' ' CE2' ' A' ' 2' ' ' PHE . 4.5 m -162.31 55.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.79 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.0 p -79.8 59.36 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.867 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER 160.72 38.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' O ' ' O ' ' A' ' 12' ' ' VAL . 4.7 t80 178.23 33.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 HG13 ' N ' ' A' ' 13' ' ' ASN . 9.9 p -55.31 -130.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.732 ' N ' HG13 ' A' ' 12' ' ' VAL . 2.0 t-20 -39.83 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -179.57 -150.77 9.29 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 110.952 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.934 ' HD2' HD23 ' A' ' 18' ' ' LEU . 18.2 Cg_endo -74.99 172.24 16.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.402 ' HG2' ' N ' ' A' ' 17' ' ' THR . 1.8 ptp85 -40.16 -27.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 15' ' ' PRO . 19.5 m -66.3 -49.99 65.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.934 HD23 ' HD2' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -45.89 -89.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.622 ' HB3' HG11 ' A' ' 12' ' ' VAL . 23.7 t -101.81 -101.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 108.318 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 176.59 145.33 5.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.557 1.16 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.867 ' HB2' ' HA ' ' A' ' 10' ' ' LEU . . . -91.94 -3.03 56.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 0.794 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.693 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.6 tp10 -76.91 -51.22 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.884 HD13 ' HA ' ' A' ' 57' ' ' VAL . 80.8 mt -33.06 -42.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.1 OUTLIER -76.9 -50.63 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.338 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -67.09 -10.74 53.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.105 ' HB1' ' CD2' ' A' ' 70' ' ' LEU . . . -76.8 -61.86 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.008 HD11 HG21 ' A' ' 56' ' ' ILE . 1.3 mp -49.28 -41.81 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.033 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -82.32 -14.56 55.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.833 ' CD2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -64.69 -37.33 87.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.938 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.833 HG23 ' CD2' ' A' ' 29' ' ' PHE . 69.0 t -97.64 -24.54 4.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -93.78 -27.5 16.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 108.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 1.033 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 161.24 109.11 0.24 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.462 1.101 . . . . 0.0 111.032 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 32.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.793 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.818 ' H ' ' C ' ' A' ' 32' ' ' GLY . 14.7 ptp180 -96.64 -7.52 33.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.633 ' C ' ' HG2' ' A' ' 28' ' ' GLN . . . 95.2 122.57 3.87 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.502 1.126 . . . . 0.0 111.048 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.03 ' O ' HG23 ' A' ' 24' ' ' VAL . 40.8 t80 -113.67 175.24 5.54 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 0.776 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.633 ' O ' ' CD1' ' A' ' 38' ' ' PHE . 0.8 OUTLIER -91.96 -131.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.959 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.928 ' CD1' HG22 ' A' ' 56' ' ' ILE . 5.0 m-85 -162.17 -110.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 158.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -49.5 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 72.16 4.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.523 1.802 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.7 m -34.68 -82.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -36.63 81.13 0.0 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.107 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.73 ' N ' ' O ' ' A' ' 42' ' ' THR . 2.0 t80 -154.76 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.48 -39.89 5.99 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.038 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.4 t -97.88 74.41 2.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 0.77 . . . . 0.0 110.008 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 39.9 t -73.77 71.98 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 109.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -126.07 163.5 22.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.985 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.73 110.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 49' ' ' ARG . 10.5 ptt180 -35.76 111.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 53' ' ' GLN . . . -39.47 -54.57 1.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.415 ' C ' ' O ' ' A' ' 51' ' ' ALA . 0.1 OUTLIER 40.83 29.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 108.258 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' N ' ' C ' ' A' ' 51' ' ' ALA . 1.8 tt0 -41.78 -54.83 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.705 HG22 ' O ' ' A' ' 54' ' ' THR . 1.1 m -91.69 25.8 2.58 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.818 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -17.38 87.48 0.0 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.578 1.174 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -64.81 -5.31 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.578 0.811 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.884 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -106.89 -47.25 8.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 4.2 t0 -94.72 -31.66 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.818 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -84.1 -25.58 29.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.259 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.564 ' SG ' ' CD2' ' A' ' 23' ' ' LEU . 1.8 t -86.6 -46.29 10.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.302 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.702 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.2 m -58.68 -35.59 72.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 58' ' ' ASP . 5.8 m-85 -87.86 -41.29 13.33 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -104.93 92.66 4.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 64.7 m -36.05 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.066 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.642 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -124.87 100.79 6.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 108.336 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.8 OUTLIER -53.61 -132.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.756 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 4.6 pp -93.74 -13.8 27.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.468 HH21 HD11 ' A' ' 67' ' ' LEU . 6.2 mmp_? -50.04 -44.06 51.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.687 ' HB3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.94 -56.77 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.372 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.105 ' CD2' ' HB1' ' A' ' 26' ' ' ALA . 1.3 pp -44.46 -34.95 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.777 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -72.31 -38.51 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.8 OUTLIER -56.68 -51.15 69.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 111.063 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.237 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -84.86 -16.11 42.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.994 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.694 ' C ' ' O ' ' A' ' 73' ' ' TYR . 2.3 t -15.47 55.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 108.273 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.237 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -70.0 137.85 87.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.07 3.25 5.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.788 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.6 OUTLIER -34.31 140.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 79' ' ' PRO . 6.1 tttp -40.35 142.16 0.78 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.458 ' HD2' ' CG ' ' A' ' 78' ' ' LYS . 18.1 Cg_endo -75.0 170.76 19.71 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.477 1.777 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.12 -161.07 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.158 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.5 OUTLIER 179.54 37.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' LYS . 42.7 t -25.13 99.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HB3' ' CE2' ' A' ' 2' ' ' PHE . 8.7 mmt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.512 0.196 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.551 ' CD2' ' SD ' ' A' ' 5' ' ' MET . 1.0 OUTLIER 54.12 167.57 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.956 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.623 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.03 -137.11 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.709 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -20.85 -51.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.574 ' N ' ' O ' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -55.5 118.59 19.7 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -90.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.18 57.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.56 54.61 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.959 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.59 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -142.42 97.08 3.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.67 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 0.9 OUTLIER 95.84 22.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' O ' ' O ' ' A' ' 12' ' ' VAL . 4.0 t80 177.45 36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.762 HG13 ' N ' ' A' ' 13' ' ' ASN . 8.4 p -56.69 -129.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.762 ' N ' HG13 ' A' ' 12' ' ' VAL . 7.8 m-20 -39.56 -24.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -178.36 -155.28 14.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.849 ' HD2' HD23 ' A' ' 18' ' ' LEU . 18.4 Cg_endo -74.96 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.489 1.783 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -70.31 -0.79 8.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.246 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.419 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 16.4 m -100.13 -22.84 15.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.467 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.849 HD23 ' HD2' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -78.38 -93.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 109.286 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.642 ' HB3' HG11 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -101.57 16.77 24.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 108.327 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 1.086 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 59.75 137.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB1' ' HA ' ' A' ' 10' ' ' LEU . . . -97.92 -3.25 38.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.6 0.824 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.771 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.7 OUTLIER -58.41 -55.26 37.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.086 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -28.33 -43.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 21' ' ' ALA . 2.1 p -87.41 -34.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.771 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -77.45 -14.24 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -84.75 -56.88 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.082 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mt -53.61 -49.84 66.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.945 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -61.72 -44.43 96.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.3 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.87 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -40.43 -49.27 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 111.03 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 70' ' ' LEU . 16.2 t -99.58 -53.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.86 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -56.13 -26.61 50.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 108.309 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.945 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 158.18 111.52 0.32 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.656 ' HA ' ' HG3' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -62.87 28.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.758 ' H ' ' C ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -116.75 13.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.598 ' CA ' ' HB2' ' A' ' 28' ' ' GLN . . . 88.76 125.47 2.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.387 1.054 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.873 ' CD2' HD13 ' A' ' 27' ' ' LEU . 40.8 t80 -105.37 148.29 27.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 0.738 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.709 ' CE2' ' HB1' ' A' ' 4' ' ' ALA . 6.4 t80 -100.96 119.87 39.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 56' ' ' ILE . 20.4 m-30 -58.94 -104.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.54 ' CA ' ' HB ' ' A' ' 54' ' ' THR . 3.4 t-20 -67.72 -162.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 0.6 OUTLIER -100.52 178.72 1.18 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 93.4 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.559 1.821 . . . . 0.0 111.046 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.568 ' O ' ' N ' ' A' ' 44' ' ' TYR . 18.8 m -34.42 -86.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 1.066 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.75 89.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.446 1.091 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 42' ' ' THR . 0.4 OUTLIER -158.03 134.05 9.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 0.765 . . . . 0.0 110.998 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.94 -28.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.4 t -92.44 72.79 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 0.74 . . . . 0.0 110.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -72.98 71.38 1.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.008 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' ARG . 27.2 m -94.96 119.94 34.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -37.13 109.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -35.54 110.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.289 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -39.88 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.6 t 153.03 -22.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.663 ' C ' ' H ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -32.87 -38.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.54 ' HB ' ' CA ' ' A' ' 39' ' ' ASN . 1.7 t -66.9 28.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.663 ' H ' ' C ' ' A' ' 53' ' ' GLN . . . -73.75 3.65 33.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.075 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.29 -12.94 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.567 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -114.84 -37.5 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -90.59 -34.65 15.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.652 ' CB ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tt0 -89.74 -20.2 23.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.26 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.646 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 5.3 t -85.65 -40.13 16.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 108.346 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.508 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.9 m -68.73 -38.12 79.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 108.326 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -89.99 -49.01 6.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.525 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.1 OUTLIER -105.04 93.13 4.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.525 ' C ' ' O ' ' A' ' 63' ' ' ARG . 14.3 m -29.51 107.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.914 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.727 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.06 94.69 4.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.522 ' O ' ' O ' ' A' ' 65' ' ' CYS . 2.1 m-20 -57.86 -132.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.075 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -91.86 -17.52 25.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 7.8 tpt180 -55.44 -48.6 74.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -57.41 -51.1 70.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.075 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -45.26 -37.18 4.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -75.37 -32.92 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' ARG . 2.5 mmt -63.27 -57.88 9.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.225 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.8 t80 -81.17 -28.28 35.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 4.5 t -3.35 48.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.335 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.225 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -38.2 98.73 0.17 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.01 -10.34 21.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' PRO . 14.2 tp -35.54 99.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -72.82 -53.05 5.59 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 18.5 Cg_endo -74.97 149.26 36.58 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.01 -69.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.76 37.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 81' ' ' LYS . 11.5 t -25.15 117.51 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.575 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.548 0.213 . . . . 0.0 111.038 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.575 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -21.39 133.69 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.509 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.5 Cg_endo -74.92 -48.04 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.586 1.835 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.509 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -31.34 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.576 ' SD ' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -50.24 175.85 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 111.02 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' CD ' ' CB ' ' A' ' 5' ' ' MET . 18.4 Cg_endo -74.95 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.53 1.805 . . . . 0.0 111.053 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.34 -178.7 7.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.97 54.66 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.795 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -94.03 60.27 2.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.974 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.795 HD23 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 160.22 39.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 14' ' ' GLY . 2.0 t80 -163.08 22.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 111.073 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 13' ' ' ASN . 2.3 p -50.0 -53.72 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.534 ' N ' ' CG1' ' A' ' 12' ' ' VAL . 4.2 m-20 -104.12 7.93 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.609 ' O ' ' CD2' ' A' ' 11' ' ' PHE . . . 122.74 -77.92 0.35 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.609 ' HG2' HD23 ' A' ' 18' ' ' LEU . 18.1 Cg_endo -75.0 -177.0 3.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 1.022 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.73 -28.26 13.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.607 1.192 . . . . 0.0 110.278 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.693 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 p -85.77 16.31 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.609 HD23 ' HG2' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -92.5 -133.61 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.89 ' O ' HD11 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -86.85 23.89 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 108.272 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.798 ' HA2' HD21 ' A' ' 23' ' ' LEU . . . -131.93 9.1 5.46 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.022 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -96.56 -17.98 20.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.8 tt0 -85.96 -70.7 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -38.41 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.802 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 p -75.99 -48.56 28.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.557 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.5 OUTLIER -59.11 -33.05 70.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -60.6 -55.96 27.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -69.35 -33.4 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.614 ' HA ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -74.32 -5.2 40.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.881 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -92.41 -59.45 2.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.886 ' HB ' HD11 ' A' ' 70' ' ' LEU . 3.2 t -99.7 -29.87 3.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.89 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -75.15 -26.75 59.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 108.251 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.948 ' C ' ' H ' ' A' ' 34' ' ' ARG . . . 123.06 121.16 2.65 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.564 1.165 . . . . 0.0 111.055 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.596 ' HA ' ' CG ' ' A' ' 28' ' ' GLN . 22.0 m-20 -51.48 26.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 0.783 . . . . 0.0 109.343 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.948 ' H ' ' C ' ' A' ' 32' ' ' GLY . 20.6 ptp180 -101.51 -13.05 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.547 ' H ' ' HG2' ' A' ' 28' ' ' GLN . . . 79.62 128.44 0.66 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.793 ' CD1' HD22 ' A' ' 27' ' ' LEU . 8.0 t80 -108.54 158.2 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.774 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 1.9 m-85 -71.18 103.9 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.855 ' CE1' HD13 ' A' ' 27' ' ' LEU . 2.5 m-30 -75.38 -116.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.621 ' CG ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -75.21 -176.09 2.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.736 ' NZ ' ' HB2' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -101.52 177.96 1.36 Allowed Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 40' ' ' LYS . 18.2 Cg_endo -75.04 75.57 3.67 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.562 ' O ' ' N ' ' A' ' 44' ' ' TYR . 55.2 m -36.27 -91.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -35.78 89.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.445 1.091 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CE2' ' SD ' ' A' ' 5' ' ' MET . 0.3 OUTLIER -158.01 132.38 8.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 0.778 . . . . 0.0 110.999 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.88 -27.69 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 44' ' ' TYR . 8.6 t -90.99 71.31 6.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 t -74.61 72.25 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.008 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 49' ' ' ARG . 6.8 m -110.48 167.74 9.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -38.15 105.47 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 49' ' ' ARG . 37.9 mtp180 -35.83 113.17 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.736 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . . . -39.35 -77.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.599 ' SG ' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -70.33 64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.08 . . . . 0.0 108.278 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 51' ' ' ALA . 1.5 tt0 -37.2 -34.64 0.09 Allowed 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.448 1.092 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 54' ' ' THR . 1.1 m -89.65 36.68 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.82 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -23.4 92.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.968 HD13 ' CD2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -46.78 -11.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.756 . . . . 0.0 109.274 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -112.4 -40.25 3.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.357 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 1.3 m-20 -87.93 -31.97 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.82 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -90.34 -24.13 20.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.345 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.695 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 49.8 t -76.98 -48.95 16.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 108.303 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.435 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 1.3 m -68.06 -35.24 77.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.311 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.472 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 68.6 t80 -82.09 -37.66 26.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.69 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -109.61 110.9 22.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 110.34 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.69 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.9 m -6.11 114.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.062 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.3 m -71.76 93.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.634 ' O ' ' N ' ' A' ' 68' ' ' ARG . 2.0 t0 -117.05 117.02 28.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.073 HD12 ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -28.55 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.634 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -43.77 -28.96 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.579 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -71.43 -56.8 5.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.073 ' CD2' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -41.35 -36.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.355 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -76.3 -34.05 59.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.27 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.579 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -61.12 -52.3 65.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.211 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.5 OUTLIER -82.79 -17.97 42.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.053 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -40.41 50.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.408 1.067 . . . . 0.0 108.331 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.211 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -58.1 157.16 17.29 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.11 63.55 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 0.9 OUTLIER -35.48 144.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -60.14 110.92 3.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 157.43 42.9 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.544 1.813 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -53.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 82' ' ' SER . 27.5 tttt -179.35 37.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 81' ' ' LYS . 17.2 t -25.07 -62.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 0.0 110.019 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.582 1.176 . . . . 0.0 109.258 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' H3 ' ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.505 0.193 . . . . 0.0 110.984 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 58.08 162.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.632 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.04 -81.96 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.415 1.745 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.632 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.24 -87.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 153.57 40.73 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.511 ' C ' HD23 ' A' ' 7' ' ' LEU . 18.1 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.882 HD22 ' HA ' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -101.83 164.35 11.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.484 ' O ' ' OG ' ' A' ' 9' ' ' SER . 0.3 OUTLIER -131.64 36.12 3.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.507 ' HB2' ' CG2' ' A' ' 12' ' ' VAL . 18.5 m -172.96 -162.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 19' ' ' CYS . 1.1 tm? -54.87 -18.59 5.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.162 . . . . 0.0 109.309 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 13' ' ' ASN . 6.9 t80 175.01 15.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG12 ' O ' ' A' ' 12' ' ' VAL . 2.1 t -53.5 85.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.882 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -80.67 -11.23 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.23 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -167.48 -85.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 176.98 9.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 17.8 mtm105 -100.07 12.57 36.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.3 p -91.61 -2.92 56.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -61.22 -147.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.608 ' HB3' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -104.02 22.7 14.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.608 ' O ' ' CG1' ' A' ' 57' ' ' VAL . . . -109.23 -100.31 2.63 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.507 1.129 . . . . 0.0 111.068 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HB ' ' A' ' 24' ' ' VAL . . . -49.43 -13.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.431 0.724 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -55.26 -77.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -43.54 -23.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.319 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.034 HG23 ' CZ ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -66.75 -47.65 82.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -66.96 -20.57 65.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 1.057 ' HB1' HD22 ' A' ' 70' ' ' LEU . . . -64.29 -60.2 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.764 HD12 ' O ' ' A' ' 23' ' ' LEU . 1.4 mp -53.01 -40.14 63.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 1.059 ' O ' ' C ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -84.33 -13.86 51.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 1.174 . . . . 0.0 110.301 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.796 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -69.74 -30.96 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.772 HG23 ' CD2' ' A' ' 29' ' ' PHE . 99.0 t -96.8 -29.56 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.81 -28.47 17.33 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.145 . . . . 0.0 108.32 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 1.059 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 163.27 104.54 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.624 ' O ' ' N ' ' A' ' 35' ' ' GLY . 5.8 p-10 -37.74 -24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.602 ' N ' ' O ' ' A' ' 32' ' ' GLY . 2.2 mtt-85 -32.12 -31.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.264 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.624 ' N ' ' O ' ' A' ' 33' ' ' ASP . . . 99.2 127.22 5.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.098 ' CZ ' ' HB3' ' A' ' 75' ' ' ALA . 16.7 t80 -119.13 175.57 5.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 0.754 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.676 ' N ' ' CG ' ' A' ' 36' ' ' PHE . 1.3 t80 -91.94 -137.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.947 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 1.034 ' CZ ' HG23 ' A' ' 24' ' ' VAL . 9.4 m-85 -146.41 -114.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.516 ' CB ' ' SG ' ' A' ' 52' ' ' CYS . 0.1 OUTLIER -99.04 -91.92 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' HG2' ' CD ' ' A' ' 41' ' ' PRO . 2.1 mttt -101.75 174.85 2.62 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.367 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.1 Cg_endo -75.0 -35.29 3.22 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.539 1.81 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.607 HG22 ' H ' ' A' ' 43' ' ' GLY . 94.5 m -162.0 177.83 9.41 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.161 . . . . 0.0 110.367 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.607 ' H ' HG22 ' A' ' 42' ' ' THR . . . -56.32 -139.69 0.0 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.105 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.417 ' HB3' ' OG ' ' A' ' 47' ' ' SER . 3.8 t80 -155.32 133.69 11.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' TYR . . . -36.72 -70.08 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 t -83.82 68.13 9.81 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.534 0.785 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' ' 44' ' ' TYR . 46.1 m -167.33 116.23 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 71.3 m -118.35 63.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.475 1.11 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 5.1 mtm105 -166.11 166.83 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.432 1.082 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 49' ' ' ARG . 12.3 mmt85 -34.25 114.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' ARG . . . -38.27 -88.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.7 OUTLIER -98.48 108.12 20.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 108.225 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -36.62 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.357 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 54' ' ' THR . 1.5 m -85.51 34.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.845 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -44.76 78.21 0.0 OUTLIER Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.794 ' O ' ' HB2' ' A' ' 60' ' ' CYS . 1.0 OUTLIER -60.14 -3.64 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.53 0.783 . . . . 0.0 109.347 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG13 ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -113.44 -47.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' HB2' ' CD2' ' A' ' 10' ' ' LEU . 18.8 t0 -93.59 -25.06 17.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.845 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.3 OUTLIER -92.89 -18.79 22.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.207 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.794 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 4.3 m -94.25 -35.69 12.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.108 . . . . 0.0 108.296 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.62 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 3.8 m -75.01 -39.59 61.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.243 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -72.92 -51.63 17.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.625 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -111.77 101.96 10.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.625 ' C ' ' O ' ' A' ' 63' ' ' ARG . 30.7 m -18.14 118.81 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 110.056 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 60' ' ' CYS . 0.0 OUTLIER -113.4 82.69 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 108.253 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.739 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -39.45 109.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.966 ' C ' HD12 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -26.23 -35.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.739 ' N ' ' O ' ' A' ' 66' ' ' ASP . 0.1 OUTLIER -47.98 -33.45 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.69 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -70.95 -67.65 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.057 HD22 ' HB1' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -36.42 -35.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 0.0 109.26 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.617 ' HB2' HG11 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -71.38 -40.34 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.69 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -51.35 -57.53 8.66 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.482 1.114 . . . . 0.0 111.063 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.157 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -57.84 -12.64 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -4.76 53.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 108.32 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.157 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -75.43 153.69 85.84 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 17.8 Cg_endo -75.07 126.25 9.81 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.781 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' PRO . 2.2 tp -35.53 108.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.514 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.49 -51.46 78.09 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 37' ' ' TYR . 18.3 Cg_endo -75.03 -163.83 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.48 1.779 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.03 60.08 0.24 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 109.242 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.562 ' O ' ' C ' ' A' ' 82' ' ' SER . 3.1 tttt -179.93 37.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.562 ' C ' ' O ' ' A' ' 81' ' ' LYS . 31.0 t -25.27 -74.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.682 ' C ' ' CG ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.503 0.192 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.682 ' CG ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 163.39 145.13 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.025 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.1 Cg_endo -74.95 -67.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.609 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -22.39 -78.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.618 ' O ' ' CD1' ' A' ' 2' ' ' PHE . 14.3 ttp -102.5 105.48 44.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.566 1.166 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 4' ' ' ALA . 18.4 Cg_endo -75.01 117.08 4.78 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.545 1.813 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 58.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.15 55.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.774 ' O ' HD12 ' A' ' 10' ' ' LEU . 32.6 m -145.92 94.69 2.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 91.03 26.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' HA ' ' O ' ' A' ' 14' ' ' GLY . 4.2 t80 178.01 33.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.835 HG13 ' H ' ' A' ' 13' ' ' ASN . 9.8 p -55.04 -117.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.95 ' HB3' HD12 ' A' ' 18' ' ' LEU . 3.5 m120 -38.29 -26.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 11' ' ' PHE . . . 162.33 -135.52 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.571 ' HD2' HD23 ' A' ' 18' ' ' LEU . 18.1 Cg_endo -75.02 172.9 15.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 16' ' ' ARG . 4.2 ptp180 -52.82 -17.59 1.45 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.088 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.2 p -79.64 -10.55 59.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.95 HD12 ' HB3' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -91.24 -101.55 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.435 ' HB3' HG11 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -95.95 17.1 16.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.285 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' CYS . . . 59.54 142.06 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' CG1' ' A' ' 24' ' ' VAL . . . -92.91 -1.26 56.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.739 ' O ' ' N ' ' A' ' 25' ' ' ASP . 1.7 tt0 -70.68 -56.82 5.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.352 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.973 ' O ' HD12 ' A' ' 27' ' ' LEU . 81.9 mt -29.8 -44.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG1' ' O ' ' A' ' 21' ' ' ALA . 2.4 p -75.81 -42.62 40.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.739 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.4 t70 -68.38 -28.03 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.82 -58.25 9.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.111 HD22 ' CD2' ' A' ' 36' ' ' PHE . 1.2 mp -61.36 -32.99 72.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.694 ' HG2' ' C ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -75.7 -8.34 56.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.948 ' CE2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -91.15 -52.86 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.002 HG12 HD21 ' A' ' 70' ' ' LEU . 1.2 t -101.27 -37.23 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.947 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -65.53 -26.79 68.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 108.272 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.772 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 118.24 125.03 3.45 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.694 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -32.69 -23.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.487 0.757 . . . . 0.0 109.379 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.772 ' N ' ' O ' ' A' ' 32' ' ' GLY . 14.4 ptp180 -53.9 -19.06 3.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.543 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 71.71 141.57 0.31 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.429 1.081 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.111 ' CD2' HD22 ' A' ' 27' ' ' LEU . 62.0 t80 -100.28 148.86 24.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -73.9 81.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.893 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -24.65 -80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.076 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.497 ' O ' ' CD1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -100.88 -179.49 4.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' CD ' ' HD2' ' A' ' 41' ' ' PRO . 0.1 OUTLIER -100.04 175.62 2.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.41 1.069 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.538 ' O ' ' O ' ' A' ' 42' ' ' THR . 18.2 Cg_endo -75.02 81.53 2.2 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.551 1.816 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.638 HG23 ' H ' ' A' ' 43' ' ' GLY . 0.0 OUTLIER -37.37 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 42' ' ' THR . . . -36.13 91.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.1 t80 -152.57 -174.04 4.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.58 -38.47 9.57 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.486 1.116 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.492 ' OG ' ' CZ ' ' A' ' 50' ' ' ARG . 7.5 t -97.52 74.53 2.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -72.73 70.39 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.007 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 50' ' ' ARG . 0.4 OUTLIER -151.06 163.68 38.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.558 1.161 . . . . 0.0 110.052 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 80.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 48' ' ' SER . 4.9 ptm180 -167.94 69.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 110.22 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -151.84 22.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 52' ' ' CYS . 20.7 p 179.77 52.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 108.321 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -62.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.774 HG23 ' CD2' ' A' ' 73' ' ' TYR . 15.3 t -96.68 26.6 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.846 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -14.52 92.81 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -61.32 -9.03 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 0.794 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.875 ' HA ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -109.49 -41.71 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.6 -35.28 11.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.846 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.9 tm-20 -83.06 -24.22 32.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 0.5 OUTLIER -90.9 -41.03 11.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 108.34 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.706 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 1.8 m -57.61 -38.31 74.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.1 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -77.58 -40.64 41.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 111.067 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -107.32 92.03 3.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 63' ' ' ARG . 62.1 p -37.25 96.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.981 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' O ' ' O ' ' A' ' 66' ' ' ASP . 5.6 p -133.56 95.9 3.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 108.319 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.575 ' O ' ' O ' ' A' ' 65' ' ' CYS . 84.4 m-20 -45.6 -105.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.948 HD22 ' CE2' ' A' ' 29' ' ' PHE . 1.3 pp -96.61 -29.14 14.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.833 ' N ' HD12 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -35.19 -39.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.384 1.053 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.676 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -72.0 -45.21 61.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.22 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.079 HD22 ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -43.15 -40.27 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.707 ' N ' HD13 ' A' ' 70' ' ' LEU . 4.5 pt-20 -83.84 -26.17 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.558 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 4.8 mmt -63.63 -48.45 77.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.774 ' CD2' HG23 ' A' ' 54' ' ' THR . 0.6 OUTLIER -92.65 -26.55 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -18.55 46.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.553 1.158 . . . . 0.0 108.346 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' PHE . . . -67.07 155.33 90.61 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.807 ' O ' HD12 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.01 -176.78 3.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.449 1.763 . . . . 0.0 111.046 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -167.92 -168.05 0.93 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -86.47 154.0 56.33 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -74.97 -59.62 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.448 1.762 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.97 153.39 18.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.38 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.0 OUTLIER -179.93 37.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 81' ' ' LYS . 2.9 t -25.13 -59.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' O ' ' CB ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.531 0.205 . . . . 0.0 111.017 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.561 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 72.4 154.4 0.15 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.631 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.07 -54.43 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.631 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.26 -60.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -100.19 108.49 52.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' O ' HD22 ' A' ' 7' ' ' LEU . 18.2 Cg_endo -74.98 67.1 5.97 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 HD22 ' O ' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -142.9 -179.88 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -162.25 55.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -115.89 119.29 35.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.07 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER 87.99 24.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 67.6 t80 -165.79 25.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.766 HG12 ' O ' ' A' ' 12' ' ' VAL . 0.9 OUTLIER -64.54 91.4 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.23 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.485 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 4.2 t-20 -72.94 -37.34 67.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 13' ' ' ASN . . . -47.83 -99.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.133 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.585 ' HD2' HG13 ' A' ' 12' ' ' VAL . 18.7 Cg_endo -74.9 144.65 30.89 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.515 1.797 . . . . 0.0 111.03 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.78 38.29 0.91 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.2 t -100.26 -6.46 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.637 HD12 ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -85.96 -139.69 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.637 ' H ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -89.09 15.83 8.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.399 1.062 . . . . 0.0 108.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.809 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 96.47 139.54 10.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.727 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -97.87 0.21 46.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 0.742 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.72 ' O ' ' N ' ' A' ' 26' ' ' ALA . 29.8 tt0 -71.32 -53.93 12.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.872 ' H ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -27.03 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.58 1.175 . . . . 0.0 109.373 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -82.31 -47.61 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.641 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -67.36 -11.03 56.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HB1' ' HG ' ' A' ' 70' ' ' LEU . . . -81.48 -55.5 4.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.731 ' N ' ' HB2' ' A' ' 70' ' ' LEU . 1.3 mt -49.33 -45.52 45.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.992 ' O ' ' C ' ' A' ' 32' ' ' GLY . 1.5 tp60 -81.43 -18.97 43.52 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.816 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -59.04 -36.33 74.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 67' ' ' LEU . 2.3 t -97.56 -26.91 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 109.243 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 -25.01 17.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.992 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 164.9 109.85 0.23 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.23 34.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.333 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.842 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.1 OUTLIER -102.13 -6.82 22.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.617 ' H ' ' HB3' ' A' ' 28' ' ' GLN . . . 88.31 121.75 1.79 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.573 1.171 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.026 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 t80 -118.39 137.06 53.39 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.817 ' CD1' HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -62.98 -141.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 111.017 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.665 ' N ' ' CG ' ' A' ' 37' ' ' TYR . 74.9 m-85 -146.73 -116.81 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.777 ' CB ' HG21 ' A' ' 54' ' ' THR . 33.3 t30 -62.79 150.07 42.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CB ' ' A' ' 42' ' ' THR . 0.3 OUTLIER -100.04 160.75 26.33 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' HG3' ' CZ ' ' A' ' 2' ' ' PHE . 18.3 Cg_endo -75.02 -25.49 11.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.463 ' CB ' ' HG3' ' A' ' 40' ' ' LYS . 6.6 m -36.08 -33.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' PRO . . . -35.42 136.26 0.4 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.427 1.08 . . . . 0.0 111.019 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -154.57 131.82 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -37.98 -68.34 0.42 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.44 1.088 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -81.1 67.69 7.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 109.958 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.5 t -163.99 114.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 110.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.503 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -88.89 113.27 24.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -163.56 99.44 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -35.82 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.03 81.53 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -144.58 -49.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 108.276 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.6 tt0 -33.16 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.777 HG21 ' CB ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -64.28 25.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.398 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.888 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -86.83 16.09 48.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.712 ' O ' ' HB3' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -51.35 -7.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG22 ' CE1' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -106.22 -52.11 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -92.44 -25.55 18.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 55' ' ' GLY . 18.6 tt0 -89.21 -23.78 22.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t -86.83 -38.57 16.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 0.0 108.322 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -72.01 -33.97 68.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.252 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -91.38 -50.44 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -106.03 95.19 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 63' ' ' ARG . 11.0 m -31.42 96.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.93 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.682 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -108.71 100.18 9.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.261 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.58 ' O ' ' O ' ' A' ' 65' ' ' CYS . 0.4 OUTLIER -55.33 -133.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.854 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -101.71 -9.15 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -69.07 -35.79 76.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -67.94 -70.5 0.26 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.903 ' HG ' ' HB1' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -49.41 -20.63 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.673 ' N ' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -79.14 -29.79 43.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.515 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.5 mmt -67.77 -57.22 6.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.253 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.1 t80 -57.9 -18.04 20.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.722 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -8.09 51.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.253 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -72.94 145.03 86.0 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.95 110.76 3.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.817 HD23 ' CD1' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -168.65 110.87 0.54 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.673 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -126.04 90.3 50.53 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.45 ' O ' ' NZ ' ' A' ' 78' ' ' LYS . 18.4 Cg_endo -74.94 113.36 3.78 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.772 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.425 ' HB2' ' NZ ' ' A' ' 78' ' ' LYS . . . -161.98 83.95 0.58 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.572 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER 179.98 37.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 81' ' ' LYS . 1.2 t -25.19 -62.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.04 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.698 ' HB3' HD23 ' A' ' 7' ' ' LEU . 2.5 mpt? . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.571 0.224 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.655 ' CD1' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER 155.37 167.68 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.015 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -74.97 -91.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -30.51 -82.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -103.4 174.73 2.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.02 -70.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.698 HD23 ' HB3' ' A' ' 1' ' ' MET . 0.2 OUTLIER -161.38 58.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.82 56.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.79 ' O ' HD12 ' A' ' 10' ' ' LEU . 29.9 t -133.91 83.92 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.881 ' HA ' HD12 ' A' ' 18' ' ' LEU . 0.3 OUTLIER 88.81 35.77 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.754 ' C ' ' HB2' ' A' ' 21' ' ' ALA . 51.0 t80 -162.38 17.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.767 HG12 ' O ' ' A' ' 12' ' ' VAL . 1.2 t -54.74 89.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.503 ' C ' ' O ' ' A' ' 12' ' ' VAL . 1.3 m120 -32.61 -58.54 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.665 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -53.67 142.89 29.16 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HA ' ' CB ' ' A' ' 19' ' ' CYS . 18.3 Cg_endo -75.08 59.58 5.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.482 1.78 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 62.7 mtm-85 -102.27 -104.24 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.5 m -93.66 -68.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.336 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.881 HD12 ' HA ' ' A' ' 10' ' ' LEU . 2.0 mm? -85.52 47.55 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.576 ' CB ' ' HA ' ' A' ' 15' ' ' PRO . 32.0 p -63.1 -6.42 4.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 108.26 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.763 ' CA ' HD21 ' A' ' 23' ' ' LEU . . . -69.66 48.53 0.61 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.754 ' HB2' ' C ' ' A' ' 11' ' ' PHE . . . -101.74 -18.49 15.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 0.792 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.637 ' O ' ' N ' ' A' ' 25' ' ' ASP . 6.0 tt0 -84.48 -64.43 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.952 ' H ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -37.41 -34.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.345 ' HA ' ' CZ ' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -78.29 -41.86 26.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.637 ' N ' ' O ' ' A' ' 22' ' ' GLU . 0.4 OUTLIER -71.48 -26.48 62.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 70' ' ' LEU . . . -65.49 -53.92 35.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.089 HD12 ' CZ ' ' A' ' 38' ' ' PHE . 2.6 mt -71.15 -40.18 71.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.673 ' HB2' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -71.36 -6.62 41.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.031 ' CE2' HG23 ' A' ' 30' ' ' VAL . 2.0 t80 -92.21 -57.26 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.031 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.1 t -100.59 -32.16 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.895 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -69.24 -26.82 64.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 108.329 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.578 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 124.52 121.72 2.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.645 ' C ' ' HG2' ' A' ' 28' ' ' GLN . 1.6 p-10 -40.91 -20.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.578 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -62.92 -11.0 15.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.29 139.43 0.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.697 ' CE2' ' O ' ' A' ' 37' ' ' TYR . 6.4 t80 -100.86 171.3 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 0.769 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.697 ' O ' ' CE2' ' A' ' 36' ' ' PHE . 26.8 t80 -82.53 91.92 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 1.345 ' CZ ' ' HA ' ' A' ' 24' ' ' VAL . 4.1 m-85 -69.98 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.422 ' O ' ' HD3' ' A' ' 41' ' ' PRO . 1.8 t-20 -77.05 -159.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.44 106.39 45.56 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.448 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.2 Cg_endo -74.98 -1.42 11.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.553 1.817 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.653 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.8 m -159.95 179.27 8.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.43 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.653 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.37 155.28 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.12 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -82.24 46.91 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 0.793 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.85 -27.44 0.12 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' TYR . 7.9 t -95.51 74.77 3.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.737 . . . . 0.0 109.99 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -71.06 70.3 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' ARG . 10.7 m -130.7 169.87 15.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 50' ' ' ARG . 15.3 mmp_? -36.42 107.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 49' ' ' ARG . 29.7 ptt180 -35.21 110.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.69 -43.69 4.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 55' ' ' GLY . 14.7 p -75.33 -5.04 42.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 54' ' ' THR . 0.0 OUTLIER -39.48 -33.33 0.16 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.805 HG22 ' O ' ' A' ' 54' ' ' THR . 1.2 m -89.43 36.09 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.817 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -18.33 90.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.892 HG22 ' CD2' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -55.55 -5.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.424 0.72 . . . . 0.0 109.29 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -109.27 -46.26 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -90.03 -32.97 16.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.817 ' N ' ' O ' ' A' ' 55' ' ' GLY . 1.7 tp10 -85.62 -22.95 27.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.671 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 19.2 t -80.41 -50.97 9.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 108.259 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' N ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -61.23 -34.05 74.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -86.16 -43.57 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 111.015 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.56 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.537 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.3 OUTLIER -27.75 98.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.931 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.713 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -122.88 98.35 5.86 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 65' ' ' CYS . 38.2 m-20 -58.44 -129.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.053 HD23 ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -90.96 -31.7 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.34 -36.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.866 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -68.38 -48.85 63.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.273 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.053 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -46.28 -37.1 6.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -77.76 -30.09 51.3 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' ARG . 1.0 OUTLIER -65.93 -58.64 5.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.228 ' O ' ' N ' ' A' ' 75' ' ' ALA . 1.2 m-30 -73.48 -26.33 60.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.946 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.06 50.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 108.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.228 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -63.44 159.13 53.15 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' N ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.02 -65.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 110.955 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 HD11 ' O ' ' A' ' 79' ' ' PRO . 0.7 OUTLIER -35.41 98.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -78.15 -53.94 1.32 Allowed Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.507 ' O ' HD11 ' A' ' 77' ' ' LEU . 18.0 Cg_endo -75.09 95.27 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.531 1.806 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.693 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -78.06 -41.74 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.572 ' O ' ' C ' ' A' ' 82' ' ' SER . 2.7 tptp -179.43 37.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 81' ' ' LYS . 5.9 t -25.19 112.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.944 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HB3' HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.556 0.217 . . . . 0.0 111.057 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.536 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.3 OUTLIER 57.95 177.24 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.965 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.642 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.2 Cg_endo -75.02 -50.97 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.642 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.27 -63.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.69 160.34 29.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.411 1.069 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.485 ' C ' HD22 ' A' ' 7' ' ' LEU . 18.4 Cg_endo -74.98 -177.38 3.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD22 ' C ' ' A' ' 6' ' ' PRO . 4.2 mm? -125.57 72.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 p -162.45 55.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.981 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -153.39 81.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.047 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER 86.83 17.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 11' ' ' PHE . 59.6 t80 -166.59 28.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.827 HG11 HD23 ' A' ' 18' ' ' LEU . 7.0 p -60.66 88.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -55.73 -19.27 10.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -56.81 -100.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.674 ' HD2' HG22 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 146.79 33.02 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.658 ' HG3' ' HB3' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -98.01 31.33 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.58 ' CG2' HD22 ' A' ' 18' ' ' LEU . 9.3 t -100.31 -38.39 8.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.827 HD23 HG11 ' A' ' 12' ' ' VAL . 3.2 mm? -59.14 -112.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.368 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' O ' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -89.15 19.85 4.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.264 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.876 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 57.48 135.25 0.01 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.539 1.149 . . . . 0.0 111.09 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.658 ' HB3' ' HG3' ' A' ' 16' ' ' ARG . . . -91.57 -8.76 46.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.715 ' O ' ' N ' ' A' ' 26' ' ' ALA . 5.8 tt0 -45.14 -67.15 0.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.978 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -25.74 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.224 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.798 HG23 HD23 ' A' ' 23' ' ' LEU . 47.1 t -86.62 -56.87 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.372 1.045 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 0.6 OUTLIER -61.8 -27.13 68.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.965 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.89 -61.49 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.025 ' C ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -72.51 -30.1 64.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.699 ' CB ' ' O ' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -74.04 -13.95 60.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.302 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.921 ' CE2' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -85.26 -53.91 4.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 111.065 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -77.6 -53.19 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.767 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -54.96 -29.87 57.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 108.332 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.72 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 125.66 120.08 2.4 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.571 ' O ' ' CD ' ' A' ' 28' ' ' GLN . 1.5 t70 -26.85 -34.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.546 0.792 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.72 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -51.58 -15.81 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.693 ' N ' ' O ' ' A' ' 32' ' ' GLY . . . 65.45 144.92 0.04 OUTLIER Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.876 ' CD1' ' HB3' ' A' ' 75' ' ' ALA . 0.0 OUTLIER -104.38 126.25 51.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 111.05 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' O ' ' CE1' ' A' ' 36' ' ' PHE . 3.4 t80 -52.23 106.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.919 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.0 m-30 -67.35 -111.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.669 ' OD1' ' HB1' ' A' ' 51' ' ' ALA . 62.0 t30 -50.7 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.0 OUTLIER -50.95 -51.89 63.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 40' ' ' LYS . 18.3 Cg_endo -75.0 47.52 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 41' ' ' PRO . 0.3 OUTLIER -38.95 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.458 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' THR . . . -37.06 114.4 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.435 ' HB3' ' CB ' ' A' ' 47' ' ' SER . 5.2 t80 -154.42 130.55 10.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 111.015 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -39.32 -67.34 0.61 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -83.07 68.45 9.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 0.732 . . . . 0.0 109.97 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.435 ' CB ' ' HB3' ' A' ' 44' ' ' TYR . 35.3 t -163.43 68.6 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.029 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.488 ' O ' ' CZ ' ' A' ' 49' ' ' ARG . 10.9 t -111.86 82.74 1.67 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.488 ' CZ ' ' O ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -163.86 162.82 23.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.23 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' ARG . 17.3 mmt180 -35.64 96.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.595 1.184 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.669 ' HB1' ' OD1' ' A' ' 39' ' ' ASN . . . -94.95 155.12 16.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' OD1' ' A' ' 39' ' ' ASN . 1.0 OUTLIER 37.57 72.05 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.347 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -61.11 1.76 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.451 1.094 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.636 ' CG2' ' CD2' ' A' ' 73' ' ' TYR . 12.4 t -100.22 26.31 6.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.771 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -12.13 96.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.75 ' O ' ' CB ' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -57.55 -15.7 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.768 . . . . 0.0 109.245 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.804 HG13 HD23 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -115.46 -42.95 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' A' ' 62' ' ' PHE . 29.5 m-20 -81.65 -28.75 33.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -93.63 -22.47 18.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.721 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.4 m -80.61 -38.48 29.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 108.231 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.562 ' HB2' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -79.0 -34.38 44.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 108.244 -179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 36.4 t80 -85.04 -53.86 5.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.425 1.078 . . . . 0.0 110.974 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.597 ' O ' ' C ' ' A' ' 64' ' ' SER . 1.3 mtm180 -109.38 92.65 4.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.597 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -21.31 93.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.031 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.717 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.1 OUTLIER -124.95 97.5 5.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.432 1.082 . . . . 0.0 108.345 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.66 -120.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.764 HD23 ' CD2' ' A' ' 70' ' ' LEU . 1.4 mp -92.39 -31.9 15.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -37.88 -57.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.244 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.704 ' O ' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -59.41 -39.37 83.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.415 1.072 . . . . 0.0 110.283 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.025 HD13 ' HA ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -43.26 -43.93 5.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.52 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.31 -26.06 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.563 ' HB2' ' HA ' ' A' ' 69' ' ' ARG . 77.6 mmm -60.62 -43.78 97.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.988 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.334 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -100.74 -18.18 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.697 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.85 49.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.238 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.334 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -62.99 111.6 5.21 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.02 0.14 9.28 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' C ' ' O ' ' A' ' 76' ' ' PRO . 0.1 OUTLIER -35.5 120.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 154.79 7.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.556 1.819 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.02 -53.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.568 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.1 OUTLIER -179.33 37.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.568 ' C ' ' O ' ' A' ' 81' ' ' LYS . 40.2 t -25.07 -78.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 110.011 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' O ' ' HA ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.466 0.174 . . . . 0.0 111.011 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 58' ' ' ASP . 1.3 m-30 65.5 148.6 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.637 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.3 Cg_endo -75.01 -90.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.434 1.755 . . . . 0.0 111.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.637 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.35 -84.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 5' ' ' MET . 4.0 mpp? -100.23 118.58 61.07 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.95 98.15 1.13 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.575 1.829 . . . . 0.0 110.971 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -95.27 113.31 24.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.735 ' HA ' HG21 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -163.69 57.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 109.991 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.598 ' O ' HD23 ' A' ' 10' ' ' LEU . 84.1 p -161.08 85.07 0.67 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.598 HD23 ' O ' ' A' ' 9' ' ' SER . 0.2 OUTLIER 172.05 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -155.08 -3.17 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.735 HG21 ' HA ' ' A' ' 8' ' ' SER . 37.3 t -67.57 79.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -101.04 -53.45 3.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 18' ' ' LEU . . . -124.41 -153.15 8.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.12 . . . . 0.0 111.044 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -49.16 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.926 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 15.6 mtm105 -102.32 -33.47 9.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.543 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 26.0 p -66.35 -0.19 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -67.39 -160.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 1.018 ' O ' HD11 ' A' ' 23' ' ' LEU . 1.7 t -70.7 26.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 108.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.674 ' H ' ' C ' ' A' ' 18' ' ' LEU . . . -123.72 -8.42 6.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.926 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -102.9 -12.13 17.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.815 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -81.41 -75.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.054 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -35.25 -33.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.682 ' HB ' ' CE1' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -78.3 -34.93 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.815 ' N ' ' O ' ' A' ' 22' ' ' GLU . 1.0 OUTLIER -71.05 -27.17 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.993 ' O ' HD22 ' A' ' 70' ' ' LEU . . . -68.24 -57.4 6.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.092 HD11 HG21 ' A' ' 56' ' ' ILE . 0.8 OUTLIER -63.14 -20.25 65.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.361 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.654 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -89.85 -12.64 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.902 ' CE2' HD13 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -84.56 -46.83 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 111.0 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.87 ' HB ' HD11 ' A' ' 70' ' ' LEU . 2.1 t -98.19 -49.03 11.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 1.009 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -55.77 -27.35 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 108.356 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.657 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 126.95 124.15 2.7 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.654 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 62.5 m-20 -36.08 -24.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.657 ' N ' ' O ' ' A' ' 32' ' ' GLY . 1.9 mmp_? -56.18 -16.58 5.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 110.346 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' HD13 ' A' ' 77' ' ' LEU . . . 82.81 140.31 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.772 ' CD1' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 151.36 21.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 111.048 179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.44 113.4 20.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.804 ' CE2' HG22 ' A' ' 56' ' ' ILE . 10.1 m-85 -63.92 -105.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.47 ' CG ' HG21 ' A' ' 54' ' ' THR . 34.8 t-20 -88.72 172.36 9.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.1 107.09 48.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.454 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.3 Cg_endo -74.96 58.4 4.85 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.45 1.763 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.628 HG22 ' H ' ' A' ' 43' ' ' GLY . 99.3 m -159.99 178.67 9.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.579 1.174 . . . . 0.0 110.389 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 42' ' ' THR . . . -35.89 155.37 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 46' ' ' SER . 0.1 OUTLIER -83.22 48.08 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 111.021 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.95 -27.91 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' TYR . 9.1 t -89.15 68.82 8.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.031 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 p -75.18 71.15 2.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 50' ' ' ARG . 7.8 p -138.32 164.47 29.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -38.25 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -35.96 109.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.162 . . . . 0.0 110.275 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.535 ' O ' ' CB ' ' A' ' 52' ' ' CYS . . . -82.72 -54.06 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.303 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.535 ' CB ' ' O ' ' A' ' 51' ' ' ALA . 1.8 t 90.77 -17.85 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 108.351 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.714 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.5 tt0 -33.17 -36.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 54' ' ' THR . 0.6 OUTLIER -63.39 23.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.849 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -96.41 28.27 13.87 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.092 HG21 HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -47.02 -8.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.737 . . . . 0.0 109.334 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.878 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -110.04 -45.32 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -92.54 -29.15 16.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.234 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.849 ' N ' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -90.94 -21.19 21.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.684 ' CB ' ' O ' ' A' ' 56' ' ' ILE . 8.8 t -85.33 -50.39 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.465 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 8.4 m -63.83 -41.13 97.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 108.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.504 ' CB ' ' O ' ' A' ' 58' ' ' ASP . 8.2 t80 -78.64 -46.15 19.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.057 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 1.1 ttt180 -104.97 92.61 4.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.455 1.097 . . . . 0.0 110.337 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.538 ' C ' ' O ' ' A' ' 63' ' ' ARG . 9.8 m -27.61 96.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.709 ' O ' ' SG ' ' A' ' 65' ' ' CYS . 0.5 OUTLIER -119.69 97.15 5.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.328 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' O ' ' O ' ' A' ' 65' ' ' CYS . 20.4 m-20 -58.16 -131.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.924 HD12 HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -92.13 -19.54 22.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -34.34 66.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.61 1.194 . . . . 0.0 110.307 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.707 ' HG3' HD11 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.01 -49.51 57.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.993 HD22 ' O ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -47.16 -36.24 8.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.353 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -79.65 -27.22 40.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -58.63 -52.83 64.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.949 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.28 ' O ' ' N ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -95.67 -18.42 20.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.686 ' C ' ' O ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -12.56 51.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 108.283 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.28 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -48.2 163.2 0.31 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.97 71.6 4.93 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.512 1.796 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD13 ' O ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -35.59 150.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' O ' HD12 ' A' ' 77' ' ' LEU . 8.5 ttpp -102.91 142.21 24.09 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -75.06 84.79 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.813 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.98 -166.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.569 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -178.89 37.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.276 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' LYS . 5.2 t -25.25 127.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.953 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.216 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.749 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.6 ppp? . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.546 0.212 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.608 ' C ' ' O ' ' A' ' 1' ' ' MET . 93.1 m-85 -15.53 123.19 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.618 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.0 Cg_endo -75.06 -73.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.618 ' C ' ' O ' ' A' ' 3' ' ' PRO . . . -19.55 -60.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 3' ' ' PRO . 36.9 mmm -99.7 163.94 17.5 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.16 . . . . 0.0 111.048 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 123.16 7.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.565 1.824 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.749 HD12 ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -79.94 170.59 16.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.55 55.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -131.04 96.09 3.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.009 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' CB ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER 88.48 29.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 1.4 t80 -162.81 21.85 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.088 HG11 HD12 ' A' ' 18' ' ' LEU . 12.3 p -63.97 78.3 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 34.5 t30 -34.01 -63.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.559 ' C ' ' O ' ' A' ' 13' ' ' ASN . . . 23.23 -140.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' CD2' ' A' ' 18' ' ' LEU . 18.2 Cg_endo -75.07 -175.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 7.62 43.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -101.23 21.57 13.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.088 HD12 HG11 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -100.28 -151.02 0.39 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.457 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -79.96 15.17 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 108.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 1.103 ' O ' HD21 ' A' ' 23' ' ' LEU . . . 102.97 107.36 3.14 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.006 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' O ' HG13 ' A' ' 24' ' ' VAL . . . -101.21 -4.34 27.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 0.788 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.706 ' O ' ' N ' ' A' ' 25' ' ' ASP . 2.3 tt0 -69.47 -54.02 16.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.103 HD21 ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -26.83 -46.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' ' 21' ' ' ALA . 1.3 p -79.81 -44.73 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.706 ' N ' ' O ' ' A' ' 22' ' ' GLU . 35.8 m-20 -63.97 -34.4 77.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.588 1.18 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.672 ' N ' ' O ' ' A' ' 22' ' ' GLU . . . -60.32 -54.41 46.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.059 HD12 ' O ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -69.47 -14.21 62.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.604 ' CG ' ' O ' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -90.84 -10.48 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 1.05 ' CZ ' HG23 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -105.29 -40.27 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 1.05 HG23 ' CZ ' ' A' ' 29' ' ' PHE . 0.9 OUTLIER -95.83 -40.57 10.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.82 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -76.36 -27.95 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.269 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.762 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . 119.68 125.56 3.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.419 1.074 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.604 ' O ' ' CG ' ' A' ' 28' ' ' GLN . 1.6 m-20 -26.9 -32.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 0.814 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.762 ' N ' ' O ' ' A' ' 32' ' ' GLY . 4.4 mmp_? -39.44 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.559 ' N ' ' HG3' ' A' ' 28' ' ' GLN . . . 72.82 131.4 0.15 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.542 1.152 . . . . 0.0 111.067 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.609 ' O ' ' C ' ' A' ' 37' ' ' TYR . 63.0 t80 -108.11 119.07 38.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 0.75 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.616 ' CE2' ' O ' ' A' ' 39' ' ' ASN . 0.8 OUTLIER -18.06 -91.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.007 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.892 ' CD1' HG22 ' A' ' 56' ' ' ILE . 0.1 OUTLIER 157.64 -91.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.942 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.616 ' O ' ' CE2' ' A' ' 37' ' ' TYR . 13.0 t-20 -98.54 139.94 33.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.546 ' NZ ' ' CB ' ' A' ' 75' ' ' ALA . 6.0 mtmt -100.76 107.83 50.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 42' ' ' THR . 18.4 Cg_endo -75.0 55.18 3.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.495 1.787 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 41' ' ' PRO . 24.5 m -36.1 -36.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.489 ' N ' HH11 ' A' ' 50' ' ' ARG . . . -35.71 154.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.43 1.081 . . . . 0.0 111.047 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -144.02 -168.73 2.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.507 0.769 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -38.14 -84.49 0.01 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -90.25 68.45 6.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.427 0.721 . . . . 0.0 109.966 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 m -164.25 114.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.496 1.123 . . . . 0.0 109.956 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.7 t -150.02 80.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 6.0 mtm105 -163.84 86.83 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.489 HH11 ' N ' ' A' ' 43' ' ' GLY . 2.4 ptp180 -167.41 162.17 14.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -103.92 -14.03 16.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 55' ' ' GLY . 1.3 m 68.03 39.47 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.347 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.712 ' C ' ' H ' ' A' ' 55' ' ' GLY . 1.4 pt20 -33.24 -37.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.359 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.877 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 9.0 m -64.85 24.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.356 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.821 ' O ' ' N ' ' A' ' 59' ' ' GLU . . . -82.19 46.7 3.57 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 1.298 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -47.83 -9.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.413 0.713 . . . . 0.0 109.351 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 ' CG1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -109.85 -52.06 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.581 1.175 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -82.04 -28.59 32.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.821 ' N ' ' O ' ' A' ' 55' ' ' GLY . 6.2 mm-40 -88.05 -19.84 26.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.716 ' HB2' ' O ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -77.91 -42.12 34.23 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 108.276 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -70.86 -36.22 72.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 108.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -87.98 -44.57 10.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.677 ' O ' ' C ' ' A' ' 64' ' ' SER . 0.0 OUTLIER -109.95 107.89 17.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.677 ' C ' ' O ' ' A' ' 63' ' ' ARG . 6.0 m -10.43 117.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 17.1 t -76.26 91.84 3.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.633 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -96.85 100.21 11.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.014 ' HG ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -28.98 -36.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.633 ' N ' ' O ' ' A' ' 66' ' ' ASP . 2.5 ttm180 -38.39 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.821 ' HB3' HD11 ' A' ' 56' ' ' ILE . 1.1 mtt180 -76.21 -51.97 11.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.014 HD12 ' HG ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -39.45 -40.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 109.319 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.921 ' N ' HD13 ' A' ' 70' ' ' LEU . 9.2 pt-20 -79.5 -34.0 41.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.561 ' N ' ' O ' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -76.26 -40.25 52.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 1.298 ' CE2' HD13 ' A' ' 56' ' ' ILE . 4.7 m-30 -78.9 -18.1 54.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 49.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.117 ' N ' ' O ' ' A' ' 73' ' ' TYR . . . -69.91 170.8 8.77 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.687 ' HD2' ' HB1' ' A' ' 75' ' ' ALA . 18.3 Cg_endo -74.93 120.07 5.93 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -167.93 120.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.421 ' CB ' ' CD ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -54.23 175.24 0.17 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 78' ' ' LYS . 18.2 Cg_endo -75.01 167.48 26.94 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.531 1.806 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -162.01 111.34 1.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.558 ' O ' ' C ' ' A' ' 82' ' ' SER . 0.8 OUTLIER -178.67 36.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.413 1.071 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 81' ' ' LYS . 14.2 t -25.19 -54.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.052 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 179.99 . . . . . . . . 0 0 . 1 stop_ save_