data_1j5c_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 1j5c _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.76 138.64 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 10.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 5' ' ' VAL . 12.5 t -137.36 147.5 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 10.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.44 ' CG2' HG13 ' A' ' 21' ' ' VAL . 24.9 t -140.66 123.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 129.67 34.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.566 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 14.8 mtt -70.99 77.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 10.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.82 169.2 20.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 10.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -100.57 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -59.09 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -39.48 -50.65 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 10.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.89 59.04 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 165.01 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -63.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -40.48 144.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CZ ' ' CE ' ' A' ' 91' ' ' MET . 20.7 m-85 -86.48 149.08 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.2 143.1 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.05 134.28 35.22 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 10.0 110.979 0.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.3 m -38.42 -51.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -114.94 138.23 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 5' ' ' VAL . 3.8 m -136.52 136.27 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.63 138.74 39.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.413 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.16 161.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.4 mmtp -107.03 151.45 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 10.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.27 93.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.6 -17.67 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 10.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 47.9 mm-40 -74.71 176.28 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.85 163.67 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 10.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.0 t -125.75 160.42 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 10.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.8 ttpt -135.63 124.42 23.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 12.6 m-90 -109.59 99.51 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 10.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 33' ' ' ASN . 76.1 t -80.3 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 10.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' HG13 ' A' ' 32' ' ' VAL . 6.7 t-20 -79.8 120.33 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 10.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.03 -57.44 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -177.4 -164.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 10.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 65.56 70.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.517 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.83 162.69 39.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 10.0 109.98 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.03 168.9 76.06 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.001 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -178.72 166.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.55 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -152.03 175.42 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -118.76 96.51 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 131.25 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.0 m-85 -108.48 137.44 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.08 153.08 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.35 79.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.98 -73.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.71 15.26 60.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.131 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 79' ' ' TYR . 57.5 t -133.0 166.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.36 157.76 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.57 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.85 -51.2 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 m -50.38 -67.66 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -43.42 -44.23 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -40.29 -67.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.11 -55.24 8.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 10.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -53.74 -26.04 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 p -78.14 122.7 25.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 10.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.482 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 42.1 m-70 -93.88 100.63 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 109.646 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 36.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.61 -136.73 9.43 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -175.35 107.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 10.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.79 128.53 42.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 44.0 m-85 -123.15 -55.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.73 151.04 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 74.69 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.73 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 10.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -75.23 108.0 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.55 131.79 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 30.0 m-85 -83.7 179.29 7.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 10.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 m -144.36 151.4 39.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 10.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.578 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.7 t -136.86 166.27 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 m -139.98 122.31 16.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.1 m-85 -100.93 98.85 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.63 -55.7 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 10.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 131.6 72.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 10.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.22 -144.74 4.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 10.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.8 m -143.36 102.08 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 10.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.632 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 61.7 m-85 -84.33 148.07 26.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.1 m -132.29 153.65 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -148.2 158.2 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -150.57 136.56 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.432 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 108.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.703 ' CE ' ' CZ ' ' A' ' 16' ' ' PHE . 44.0 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.444 0.164 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.4 m -118.84 130.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.64 138.37 2.44 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 10.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -142.82 172.62 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.77 . . . . 10.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.97 133.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.417 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.4 t -104.74 147.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 10.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -120.3 137.74 54.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 t -145.12 149.1 34.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 21' ' ' VAL . 47.1 t -140.71 140.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.217 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -97.33 120.42 37.65 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.411 1.069 . . . . 10.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.501 ' SD ' ' CG1' ' A' ' 41' ' ' ILE . 71.6 mtm -70.02 79.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 10.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.55 -159.62 18.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 10.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.486 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 6.1 m -136.62 149.68 48.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 10.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -54.31 -59.04 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.11 -59.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 10.0 110.017 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.57 74.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.9 162.6 39.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 0.794 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.07 78.26 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 10.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.486 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 33.2 m -131.88 168.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 2.8 p90 -131.52 111.96 12.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 10.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.5 mt-10 -139.05 140.89 28.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.04 . . . . 10.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.14 134.37 35.6 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.996 -2.502 . . . . 10.0 111.006 0.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 3.3 t -38.53 -53.04 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 10.0 109.949 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -118.26 146.49 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 HG12 ' CG2' ' A' ' 5' ' ' VAL . 25.4 m -136.35 147.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 10.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.85 141.66 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 10.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 73' ' ' PHE . 6.7 tt -145.3 157.83 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -93.44 171.63 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 10.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.71 85.97 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.097 . . . . 10.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 139.62 -11.64 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 10.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.84 -179.21 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 10.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -128.25 161.71 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 10.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.7 t -119.95 157.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.394 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 123.84 30.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.591 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.3 m-90 -112.98 99.87 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.8 135.19 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -80.66 112.48 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -77.32 -66.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 10.0 109.221 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.96 -166.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 65.74 61.01 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -84.4 160.92 55.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.07 174.23 53.82 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.966 -2.514 . . . . 10.0 111.055 0.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.61 146.63 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 10.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.437 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 11.9 t-20 -145.48 145.69 31.18 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.577 1.173 . . . . 10.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.501 ' CG1' ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.97 68.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.377 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -81.78 145.54 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.0 m-85 -120.8 128.09 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 10.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.02 146.55 28.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.397 1.061 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.03 82.16 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 10.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.42 -65.47 0.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.495 1.122 . . . . 10.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.13 22.92 37.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -138.73 165.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.23 -179.38 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -62.22 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 10.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -50.18 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 10.0 109.272 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.5 m -54.92 -66.62 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 10.0 110.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -47.2 -31.3 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.84 28.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -52.77 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 73' ' ' PHE . 7.7 mp -64.63 -17.69 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 10.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.2 t -84.7 128.18 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.5 m-70 -102.5 101.16 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -40.24 40.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 10.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.64 121.13 19.12 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.605 1.191 . . . . 10.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -79.74 151.05 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.729 . . . . 10.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.52 153.59 18.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 10.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -141.41 -60.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.92 128.35 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 10.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 86.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 10.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.13 -33.73 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 10.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.56 100.02 9.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 10.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 p -106.76 153.59 22.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 10.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.6 m-85 -106.59 173.29 6.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 10.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -144.38 150.92 38.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -139.73 165.99 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 10.0 109.969 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 m -123.14 130.36 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 10.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CE1' HD21 ' A' ' 56' ' ' LEU . 3.3 m-85 -104.03 98.24 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 10.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -93.39 -42.97 8.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 120.49 81.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.43 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 64.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.28 -141.45 5.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 10.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -140.56 117.6 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 10.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 56' ' ' LEU . 60.2 m-85 -99.38 156.48 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.5 m -131.84 148.39 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 10.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -153.34 169.12 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -177.59 177.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 10.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.437 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 35.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 108.311 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.47 0.176 . . . . 10.0 110.954 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 m -137.8 -58.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.421 ' CA ' ' CD2' ' A' ' 16' ' ' PHE . . . 58.71 156.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.505 1.128 . . . . 10.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.2 156.32 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.481 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -119.7 157.42 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 10.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.0 t -136.98 117.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.594 1.184 . . . . 10.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 8.9 t -75.15 160.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 10.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 35.9 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.37 127.46 35.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 t -117.77 148.32 42.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 10.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 5.5 t -135.6 129.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 10.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.06 137.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.582 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 46.5 mtt -73.43 101.65 3.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 10.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.75 -140.56 15.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.579 1.174 . . . . 10.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -143.81 154.91 43.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 10.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.93 -53.94 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 10.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -58.38 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 10.0 109.947 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.41 80.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 10.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.07 165.58 25.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.386 0.698 . . . . 10.0 109.215 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 36' ' ' LEU . 1.5 mm? -92.19 -56.47 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 10.0 109.3 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.0 m -40.35 139.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 10.0 109.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 2.6 m-85 -77.61 141.03 39.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 10.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.0 tt0 -140.5 130.82 13.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.463 1.102 . . . . 10.0 110.371 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.96 133.42 31.32 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.017 -2.493 . . . . 10.0 111.009 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -49.01 -52.92 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -104.97 143.56 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.2 m -145.08 171.84 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 10.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.55 138.55 50.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 98' ' ' ASP . 1.4 tt -145.44 152.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.0 mttm -90.47 160.47 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.77 109.26 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 -17.75 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -74.28 179.65 4.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 10.0 110.239 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -126.75 173.61 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 10.0 110.286 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.501 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.2 t -130.84 163.47 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 10.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 9.4 ttmt -133.19 130.38 39.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 5.8 m-90 -120.6 102.26 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -89.72 132.71 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -77.05 131.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -112.47 -67.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.087 . . . . 10.0 109.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -166.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' CG ' HD11 ' A' ' 14' ' ' LEU . 4.5 mm? 63.93 68.76 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 10.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -125.0 161.26 50.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 10.0 109.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 171.44 68.11 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.998 -2.501 . . . . 10.0 110.967 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 2.9 p80 -176.6 132.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 10.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.4 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 3.9 m-20 -105.74 177.28 4.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.7 mt -134.0 66.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 t -79.67 130.51 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -101.22 130.89 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 10.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -81.74 148.45 28.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.25 79.9 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.589 1.181 . . . . 10.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.99 -74.04 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.15 4.2 85.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 10.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.0 t -120.54 164.08 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.45 0.735 . . . . 10.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.89 165.89 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.77 -70.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.267 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.36 -55.9 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -49.15 -61.0 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 10.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.23 -22.14 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 10.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -69.88 -29.71 66.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -88.35 -22.76 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 1.057 . . . . 10.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.94 -10.74 30.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.387 1.054 . . . . 10.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.0 t -88.57 140.65 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.1 m-70 -113.29 99.33 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.52 -37.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 109.198 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 116.4 131.99 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 10.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.97 34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 10.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' C ' ' CG ' ' A' ' 63' ' ' PHE . . . -106.41 136.66 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 10.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.468 ' CG ' ' C ' ' A' ' 62' ' ' ALA . 36.0 m-85 -158.61 -49.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 136.61 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.79 84.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.91 -36.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 10.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.69 133.33 37.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 10.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -129.11 146.3 51.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 10.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.44 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.1 m-85 -100.98 168.58 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 29.4 m -145.01 149.76 35.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 110.386 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.9 t -141.09 141.27 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 110.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m -115.45 108.72 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 10.0 110.401 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.743 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.5 m-85 -84.34 99.65 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 10.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -79.37 -47.32 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 10.0 110.311 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.82 127.24 58.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 10.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 88.7 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 10.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.08 -141.58 4.2 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -141.99 100.57 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.743 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 55.9 m-85 -82.65 151.34 26.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -131.14 144.38 51.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.497 1.123 . . . . 10.0 110.384 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 12.8 p90 -150.62 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 1.2 p90 -160.29 -177.85 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 10.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.581 1.175 . . . . 10.0 108.277 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.547 ' HE1' ' CD2' ' A' ' 16' ' ' PHE . 3.9 ttt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.53 0.205 . . . . 10.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.2 m -110.53 153.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.94 134.86 1.95 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.597 1.185 . . . . 10.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -135.99 164.83 27.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.567 0.804 . . . . 10.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.33 153.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 10.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.83 118.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.64 160.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ILE . 2.6 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 10.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.25 136.11 43.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 10.0 109.38 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 8.8 t -126.99 145.61 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.89 142.38 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 10.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -96.44 104.55 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.551 1.157 . . . . 10.0 109.365 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.52 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -36.92 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 10.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.451 ' CA ' ' HB3' ' A' ' 34' ' ' ASN . . . -92.02 -150.59 26.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 10.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.457 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -144.65 163.97 32.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 109.972 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -40.95 96.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' GLY . 23.3 m -88.4 42.42 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 10.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 37.33 53.98 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.13 121.59 45.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 10.0 109.327 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 pp -75.16 58.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.86 134.21 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 10.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' HA2' ' A' ' 93' ' ' GLY . 45.9 p90 -97.77 108.79 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.99 141.24 38.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 139.66 62.96 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.04 -2.483 . . . . 10.0 111.046 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.574 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 16.6 p -36.6 -48.19 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 10.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -122.44 151.15 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 10.0 110.353 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -138.2 144.21 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 10.0 109.328 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -86.49 143.73 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 110.42 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG21 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.38 171.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.474 ' C ' ' CG1' ' A' ' 97' ' ' VAL . 10.5 mmtt -117.28 145.57 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.375 1.047 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 97' ' ' VAL . . . -62.4 100.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 10.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 121.29 -15.45 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 10.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -74.89 -179.55 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.55 162.13 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 10.0 110.237 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG13 ' CH2' ' A' ' 31' ' ' TRP . 7.1 t -130.3 133.29 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.85 129.66 53.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 10.0 109.35 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 29' ' ' VAL . 7.1 m-90 -116.13 99.28 7.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.048 -1.094 . . . . 10.0 108.048 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.54 135.84 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -78.34 99.72 6.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.61 1.194 . . . . 10.0 109.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -68.98 -60.03 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -174.78 -166.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.34 70.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 10.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.5 m -95.85 160.23 30.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 109.964 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 -60.25 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.961 -2.516 . . . . 10.0 110.963 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.52 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 0.0 OUTLIER 60.48 145.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 10.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.22 175.66 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 ' CE ' ' A' ' 7' ' ' MET . 3.1 mt -123.24 83.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.0 132.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 10.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.47 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 4.9 m-85 -105.61 133.49 50.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 10.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.74 160.1 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 10.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.78 78.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.48 -68.26 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.31 12.09 61.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 10.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -127.65 158.8 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 10.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.99 174.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.07 -70.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 10.0 109.373 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.36 -49.72 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -50.24 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 10.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -47.55 -58.0 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -38.67 -52.3 1.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 10.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -52.94 62.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.6 1.187 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.722 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -67.79 -9.61 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 p -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 10.0 110.026 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.9 m-70 -82.88 102.2 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 10.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -92.15 27.97 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 10.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 150.42 16.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.601 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mp -109.54 123.27 49.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 10.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.2 160.54 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 10.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' LEU . 28.4 m-85 -144.32 -47.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.26 33.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 10.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.01 51.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.22 -38.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.59 141.58 48.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 10.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 p -136.38 149.03 48.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 10.0 110.068 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -101.34 172.28 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.37 1.044 . . . . 10.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.9 m -145.73 151.74 38.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.385 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.8 p -145.2 179.97 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 10.0 109.969 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 m -144.7 140.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 10.0 110.408 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -112.94 98.1 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 10.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -83.42 -25.45 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -99.5 122.4 51.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 10.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 80.32 2.47 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.542 1.811 . . . . 10.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.27 -140.12 3.78 Favored Glycine 0 CA--C 1.528 0.864 0 O-C-N 124.541 1.15 . . . . 10.0 111.026 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m -140.61 111.47 6.99 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.398 0.705 . . . . 10.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 25.9 m-85 -88.8 160.16 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -142.85 152.55 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 29.0 p90 -148.58 154.94 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -144.48 125.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.443 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.562 0.22 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.537 ' O ' ' CE2' ' A' ' 81' ' ' TYR . 92.2 t -151.21 -76.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.06 . . . . 10.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.72 150.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 10.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 161.76 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 10.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.7 t -118.52 158.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 10.0 109.3 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.0 t -139.66 132.45 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 2.0 t -110.24 116.08 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.359 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.56 160.36 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 10.0 109.418 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -140.56 148.85 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 37.3 t -137.28 145.74 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.645 1.216 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 145.83 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 10.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.54 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 23.6 mtt -75.04 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 10.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 160.12 21.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 10.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -81.1 141.81 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 10.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -46.52 -47.15 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 10.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.2 t -48.37 -46.6 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 10.0 110.1 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.63 92.6 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 10.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.76 171.94 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 10.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 53.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 10.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.25 127.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 10.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 37.6 m-85 -81.25 114.24 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -123.49 141.08 35.41 Favored Pre-proline 0 N--CA 1.45 -0.456 0 O-C-N 124.442 1.088 . . . . 10.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 134.82 37.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.954 -2.519 . . . . 10.0 110.991 0.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.409 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 p -56.37 -48.31 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.934 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -104.84 136.69 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.079 . . . . 10.0 110.393 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 26.9 m -145.44 141.52 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 10.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.33 155.97 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 10.0 109.437 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -103.03 143.19 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.548 1.155 . . . . 10.0 109.332 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 102.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 10.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.12 -14.55 9.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 10.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -179.64 7.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 10.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -121.53 164.29 17.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 10.0 110.321 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 23' ' ' ILE . 2.3 t -133.52 129.87 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 129.07 53.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 10.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 4.5 m-90 -113.95 99.49 7.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 10.0 108.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.12 148.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -85.81 145.65 27.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.99 -68.81 0.89 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.105 . . . . 10.0 109.235 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -177.51 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.55 68.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 10.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 24.9 p -96.02 151.6 38.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.97 -169.01 6.95 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.068 -2.472 . . . . 10.0 110.977 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.91 118.29 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.585 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.7 OUTLIER -116.58 137.96 51.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.36 1.038 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -123.54 76.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -83.12 129.21 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.3 m-85 -102.8 127.51 49.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 10.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 162.82 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.625 1.203 . . . . 10.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.59 73.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.0 -83.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.75 63.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 10.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.3 t -121.38 169.73 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 10.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.53 167.76 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 10.0 109.24 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 -46.87 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 10.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -53.16 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 10.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.1 m -53.41 -39.35 64.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 10.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -78.75 -27.44 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.8 81.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.232 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -79.52 -28.96 41.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.7 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -92.42 -2.58 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.7 t -96.14 124.79 40.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 10.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.469 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 11.4 m-70 -101.45 100.84 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -42.98 -35.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 40' ' ' ASN . . . 111.01 124.67 4.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 10.0 111.054 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -171.74 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.779 . . . . 10.0 109.237 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.68 127.67 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.7 p90 -156.13 -47.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.22 109.06 17.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 10.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.1 101.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.85 -36.13 0.5 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.524 1.14 . . . . 10.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -81.89 123.91 29.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 10.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 m -131.35 146.09 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.939 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.469 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 4.8 m-85 -103.62 172.25 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -145.19 156.13 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 10.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.2 p -145.12 176.94 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 110.002 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 m -146.04 113.56 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.3 m-85 -89.14 98.45 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 10.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.02 -54.15 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.87 128.75 75.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.574 1.171 . . . . 10.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 87.45 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 10.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 -150.27 5.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 10.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 m -134.35 105.77 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 10.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.8 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 36.8 m-85 -83.25 154.12 24.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.15 . . . . 10.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 m -136.94 139.44 41.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -140.5 153.97 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 10.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 1.8 p90 -141.09 161.2 38.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 10.0 108.319 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.608 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 6.0 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.495 0.188 . . . . 10.0 110.965 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 93' ' ' GLY . 75.1 t -75.25 -91.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 10.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.404 ' N ' HG13 ' A' ' 92' ' ' VAL . . . 60.32 124.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 10.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 151.82 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 10.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.67 154.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -134.09 125.6 48.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 109.199 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -96.47 156.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.405 1.066 . . . . 10.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 10.0 109.244 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.35 138.37 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 10.0 109.294 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 t -123.28 169.31 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 1.203 . . . . 10.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 86.1 t -145.15 161.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -120.06 143.41 48.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 10.0 109.246 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.568 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 33.1 mtt -81.19 95.78 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.51 -130.58 8.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 10.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -144.93 167.24 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 0.81 . . . . 10.0 109.936 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -7.37 47.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -59.34 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.25 82.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 10.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.19 169.31 17.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 10.0 109.402 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.5 mt -80.67 -51.34 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -44.53 146.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 10.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 3.0 m-30 -99.62 147.04 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.8 tm-20 -143.87 136.67 13.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 110.323 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.99 153.04 98.95 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.933 -2.528 . . . . 10.0 111.004 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -72.84 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.939 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.4 m -117.36 143.74 45.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 10.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.9 145.62 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 137.3 33.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 10.0 110.357 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.95 160.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 10.0 109.364 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -110.06 160.84 16.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 10.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 102.82 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.084 . . . . 10.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 -20.43 7.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 10.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.81 -179.22 4.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 10.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -134.97 171.3 14.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.573 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 2.4 t -134.46 150.04 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -114.15 137.8 51.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 10.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 18.6 m-90 -124.31 100.8 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.919 -1.141 . . . . 10.0 107.919 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.43 137.91 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 10.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' N ' ' HE2' ' A' ' 7' ' ' MET . 27.7 t-20 -80.65 125.13 29.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 10.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' SER . 42.2 t30 -88.84 -66.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.75 -166.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' SER . 0.8 OUTLIER 63.96 33.07 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.208 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -40.98 162.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.1 -48.47 0.27 Allowed 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.991 -2.504 . . . . 10.0 111.02 0.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 67.11 115.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 10.0 109.659 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.65 172.76 7.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 10.0 109.212 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.468 HD12 ' CE ' ' A' ' 7' ' ' MET . 1.1 mt -123.55 63.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 96.4 t -79.42 139.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.402 ' HZ ' ' CH2' ' A' ' 31' ' ' TRP . 6.2 m-85 -114.32 128.59 56.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 10.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.69 154.42 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 10.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -110.81 78.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.84 -69.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.058 . . . . 10.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.64 -1.11 83.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 10.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.42 168.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.769 . . . . 10.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 155.01 41.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -65.51 -56.31 13.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 10.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.09 -59.43 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -47.91 -58.42 4.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 10.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.45 -32.44 26.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.48 98.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -54.39 30.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 10.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.577 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -67.05 -17.68 65.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 t -75.57 132.81 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 58.1 m-70 -106.46 100.95 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 10.0 109.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -78.76 -35.82 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.78 149.25 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.424 1.078 . . . . 10.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -97.14 126.79 42.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 0.725 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.51 ' O ' ' CA ' ' A' ' 38' ' ' PRO . . . -102.47 128.31 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 10.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 67.8 m-85 -127.31 -64.57 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.401 1.063 . . . . 10.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.55 142.94 38.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 69.39 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 10.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.04 -42.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.08 99.78 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 10.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.2 p -107.67 150.25 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 10.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 12.3 m-85 -112.17 175.73 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -145.31 153.73 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.277 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.98 134.91 23.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.5 m -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 10.0 110.442 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.751 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.9 m-85 -88.22 97.96 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 10.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.08 -16.68 37.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.18 124.57 33.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 84.36 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.554 1.818 . . . . 10.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.47 -150.17 5.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 10.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 m -129.58 118.39 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 0.816 . . . . 10.0 110.306 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.751 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 64.9 m-85 -100.48 144.4 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 10.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 m -131.32 140.95 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 10.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 17.3 p90 -132.63 155.28 49.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -156.4 161.55 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 10.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.422 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 10.0 108.203 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 16' ' ' PHE . 12.8 mtm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.512 0.196 . . . . 10.0 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.53 123.8 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 10.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.59 131.75 1.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -144.91 147.38 32.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 10.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.83 162.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.4 t -141.53 120.64 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 10.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -97.33 121.81 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.03 148.11 24.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -139.24 150.49 45.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 10.0 110.35 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.97 128.38 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -83.18 125.49 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.623 1.202 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtm -73.5 85.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 10.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.54 171.7 18.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 5.7 m -97.66 147.77 24.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 10.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -47.04 -62.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.99 -54.82 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 109.95 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 71.03 0.1 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.559 1.162 . . . . 10.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.49 146.32 49.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 0.802 . . . . 10.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 75.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 17.8 m -137.4 179.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.628 1.205 . . . . 10.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -145.18 114.19 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.392 1.057 . . . . 10.0 111.052 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.3 139.1 14.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.07 141.8 72.78 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.986 -2.506 . . . . 10.0 111.001 0.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -62.65 -40.36 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -120.59 140.34 51.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 10.0 110.366 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 29.6 m -138.35 151.49 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 10.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.32 140.3 29.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 10.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -145.11 159.15 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 109.298 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -104.13 156.71 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.45 100.9 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 10.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.13 -14.76 8.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 10.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -75.2 179.1 5.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 0.754 . . . . 10.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HG3' ' CG2' ' A' ' 72' ' ' THR . 1.5 mt-10 -128.55 165.71 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 10.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 t -128.42 162.74 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 10.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -134.58 125.99 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 10.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 10.6 m-90 -114.81 99.55 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 10.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.67 143.78 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -76.97 138.9 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -108.55 -69.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 10.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.98 -175.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 10.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp 65.6 70.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.362 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -88.54 160.43 44.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.1 -174.6 14.44 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 10.0 110.964 0.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.03 128.54 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 1.1 m-80 -137.16 142.0 42.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -117.01 72.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -82.65 134.82 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.238 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.4 m-85 -110.63 123.19 49.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 10.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.64 155.48 31.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 10.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.94 77.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 10.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -80.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.01 7.85 78.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -126.1 160.95 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.422 0.719 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 157.76 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.14 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 10.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -55.54 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.632 1.208 . . . . 10.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -48.29 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 110.422 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.7 -28.17 69.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.49 82.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 10.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -30.85 65.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 10.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -90.33 -5.88 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 10.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.5 t -93.3 117.44 30.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 21.5 m-70 -92.57 103.62 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 10.0 109.52 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -97.98 36.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.302 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.18 169.75 13.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.65 125.22 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 10.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.49 120.07 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 10.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 27.8 p90 -143.86 -45.08 0.27 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.634 1.209 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.07 102.07 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 109.22 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 111.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.93 -32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.567 1.167 . . . . 10.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -92.7 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 10.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 159.81 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.988 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 8.6 m-85 -117.95 171.22 8.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 10.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.5 m -145.29 154.77 42.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 10.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.403 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 2.5 p -141.11 179.62 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 m -144.76 120.68 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.5 m-85 -95.2 98.55 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 10.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 m -88.32 -26.59 22.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 121.44 61.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 10.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 79.71 2.58 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.488 1.783 . . . . 10.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.0 -138.83 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.095 . . . . 10.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -142.56 108.19 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 10.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 43.4 m-85 -87.27 157.14 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 10.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -133.64 152.09 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 10.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 26.9 p90 -159.09 169.28 24.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.17 -176.6 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 10.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 10.0 108.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.56 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.55 0.214 . . . . 10.0 110.951 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -174.98 -92.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . 70.2 153.87 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 10.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.08 165.66 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 0.82 . . . . 10.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.14 164.83 9.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.546 1.153 . . . . 10.0 109.259 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.04 119.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.629 1.206 . . . . 10.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.41 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.4 t -92.58 156.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 10.0 109.354 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.71 154.2 44.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 10.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 9.0 t -142.17 154.99 45.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 10.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 84.3 t -136.57 139.42 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.409 ' N ' HG11 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -85.54 140.69 30.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 10.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.486 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 12.5 mtt -75.69 93.42 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 157.48 33.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.137 . . . . 10.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -79.83 148.38 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 10.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -41.68 -56.94 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 10.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -43.96 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 10.0 110.08 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.75 62.98 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 10.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.3 150.32 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 61.52 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 10.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 16' ' ' PHE . 2.1 p -152.45 -165.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 17.1 m-85 -141.57 151.71 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 10.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.7 mp0 -144.55 135.04 12.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 110.249 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.08 133.93 33.62 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.931 -2.529 . . . . 10.0 111.019 -0.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 8.0 t -38.02 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 10.0 110.022 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -126.75 136.7 52.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CG2' ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -134.04 162.17 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.58 140.33 32.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 10.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.1 151.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.61 166.07 11.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 10.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.21 90.77 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.67 -28.16 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 10.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.74 -179.56 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.69 174.78 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.645 ' CG1' ' CZ2' ' A' ' 31' ' ' TRP . 18.2 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 10.0 109.374 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -99.44 133.86 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 10.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CZ2' ' CG1' ' A' ' 29' ' ' VAL . 18.2 m-90 -122.29 99.64 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.0 132.77 31.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 10.0 109.23 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.09 127.65 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 10.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -106.33 -66.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -167.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.8 70.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 10.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -121.85 161.98 39.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 10.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 162.71 92.25 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.876 0.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -179.01 147.43 0.35 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.47 1.106 . . . . 10.0 109.554 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 5.1 t-20 -131.58 -174.48 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.02 81.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 10.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 48.7 t -79.51 147.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 109.412 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.435 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 6.2 m-85 -123.06 130.4 52.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.08 161.21 28.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.323 1.014 . . . . 10.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.16 74.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -79.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.78 88.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.48 160.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 10.0 109.393 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 161.51 11.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -73.78 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -56.97 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 10.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -47.77 -57.02 6.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -61.42 -25.15 67.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -65.78 -53.85 34.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.51 -42.19 95.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 73' ' ' PHE . 6.9 mt -74.25 -18.79 60.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 10.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.1 t -83.63 113.35 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 12.9 m-70 -75.1 102.45 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 10.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -21.25 19.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.14 90.63 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.58 1.175 . . . . 10.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -49.99 139.4 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 0.713 . . . . 10.0 109.373 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.63 162.6 14.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 10.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -143.67 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 10.0 111.061 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.2 125.51 32.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 10.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.0 79.55 1.19 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -174.36 -39.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 10.0 111.046 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -78.42 104.61 9.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.531 0.783 . . . . 10.0 110.376 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -93.84 161.33 14.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 10.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.452 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 24.6 m-85 -115.25 171.82 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -145.35 150.24 36.23 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 10.0 110.362 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 p -145.22 128.9 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 10.0 109.97 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -100.19 136.65 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.626 1.204 . . . . 10.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 40.7 m-85 -115.25 99.57 7.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 10.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -85.44 -6.66 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 10.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.37 142.94 39.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.9 169.7 22.02 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.55 1.816 . . . . 10.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.8 174.76 13.9 Favored Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.602 1.189 . . . . 10.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -111.08 121.98 46.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 10.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.696 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 92.5 m-85 -103.22 160.39 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -144.16 145.56 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 10.0 110.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 18.8 p90 -130.18 137.68 50.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 10.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 14.5 p90 -129.64 99.31 5.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 10.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.6 1.187 . . . . 10.0 108.229 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.506 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 24.3 mtt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.579 0.228 . . . . 10.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 2.1 p -83.04 -149.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.545 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . 100.6 132.76 7.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.392 1.057 . . . . 10.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -144.19 148.61 35.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 10.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.62 151.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.6 t -124.42 126.4 71.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 15.7 t -107.55 116.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.498 1.124 . . . . 10.0 109.405 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.29 113.44 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 9.1 t -119.29 160.65 21.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 10.0 110.384 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 21' ' ' VAL . 54.3 t -142.22 138.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' N ' HG11 ' A' ' 5' ' ' VAL . 2.1 pttt -84.79 107.45 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 mtt -40.48 110.58 0.16 Allowed 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.44 1.088 . . . . 10.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LYS . . . 80.24 167.66 36.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 10.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -83.67 150.1 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.6 -56.19 12.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.88 -55.29 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 10.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.31 86.41 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.44 -171.52 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 10.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.85 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -42.35 123.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 19' ' ' SER . 5.1 p90 -86.81 137.15 32.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 10.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.0 mt-10 -121.26 141.08 32.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 10.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.91 131.92 25.78 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.977 -2.51 . . . . 10.0 111.078 -0.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 87.6 p -52.36 -46.47 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.3 m -115.88 130.06 56.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 5' ' ' VAL . 1.9 t -128.33 169.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.36 140.15 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' CG2' ' A' ' 29' ' ' VAL . 7.9 tt -144.75 160.62 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -93.13 176.76 6.29 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.451 1.094 . . . . 10.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.07 96.75 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 10.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.94 -10.87 5.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 10.0 111.06 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -78.97 -179.41 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 10.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -127.83 163.48 24.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 10.0 110.26 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.572 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 12.2 t -124.0 157.54 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 10.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 4' ' ' THR . 7.6 ttmt -131.46 130.06 41.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.572 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -120.71 99.34 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 10.0 107.998 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 p -92.89 144.11 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 10.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.11 127.31 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -100.7 -67.53 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 10.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.88 -170.06 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.86 62.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 9.8 p -86.12 152.65 56.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.1 -172.12 10.35 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.027 -2.489 . . . . 10.0 110.938 0.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.89 93.73 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -93.88 162.93 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -146.45 66.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 7.3 t -79.91 130.39 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.7 m-85 -101.71 138.58 38.5 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.374 1.046 . . . . 10.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.18 157.35 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.14 78.18 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 109.383 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -107.79 103.64 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 10.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.88 -40.62 3.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 10.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.42 165.2 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 0.723 . . . . 10.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 167.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 10.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.54 -51.98 6.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.07 . . . . 10.0 109.232 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.82 -38.74 56.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 10.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 m -67.17 -59.23 3.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 10.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.74 -30.57 23.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 10.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -75.75 -25.03 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.658 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -96.0 0.23 51.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 10.0 109.37 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 t -94.84 130.83 41.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 3.6 m170 -108.76 99.77 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 109.584 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -40.11 -30.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 10.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' HIS . . . 108.35 -140.8 15.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 10.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.2 41.31 0.3 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 0.775 . . . . 10.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.51 107.98 18.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 10.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -139.59 -44.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 116.72 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 10.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.67 163.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 10.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.41 -40.71 3.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 10.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -84.51 103.14 13.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 0.751 . . . . 10.0 110.274 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.6 p -115.7 172.04 7.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 10.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -120.9 169.72 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 10.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -145.74 149.44 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.2 p -145.78 141.34 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 10.0 110.039 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.2 m -99.98 130.48 46.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.658 ' CE1' ' CD2' ' A' ' 56' ' ' LEU . 3.4 m-30 -100.2 99.03 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 10.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -51.91 5.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 10.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.28 120.82 83.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.04 72.98 4.49 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.537 1.809 . . . . 10.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.52 5.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 10.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -136.3 108.46 7.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 10.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 56' ' ' LEU . 67.7 m-85 -90.35 148.96 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -138.03 148.25 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 10.0 110.41 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD2' ' CE2' ' A' ' 43' ' ' PHE . 20.0 p90 -151.92 169.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 10.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 42' ' ' VAL . 4.1 p90 -136.27 167.04 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 10.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 108.305 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.513 0.197 . . . . 10.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.56 -165.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 10.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.573 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.53 126.45 4.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 10.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -145.31 179.39 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 t -119.36 159.23 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.57 116.42 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 10.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 3.8 t -78.32 149.71 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 10.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 7.8 t70 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 10.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -81.22 155.22 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -146.64 164.89 31.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 10.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.409 HG23 ' CG1' ' A' ' 21' ' ' VAL . 38.3 t -145.45 153.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -109.48 126.13 53.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.469 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 9.2 mtt -67.99 96.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.97 171.91 32.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 10.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.35 173.05 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 10.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -5.38 59.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 10.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -102.19 -55.58 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.949 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.97 72.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 10.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 -179.31 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 10.0 109.304 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.86 -61.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 10.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -43.15 138.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 7' ' ' MET . 4.8 m-30 -86.51 149.15 25.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 10.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.8 tm-20 -139.44 129.84 14.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.05 132.8 28.78 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 121.04 -2.484 . . . . 10.0 110.975 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.4 p -51.01 -53.42 33.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 109.935 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -105.96 141.49 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 10.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 33.1 m -145.21 141.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.69 140.64 29.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 10.0 110.332 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG22 ' CG2' ' A' ' 97' ' ' VAL . 2.2 tt -135.84 153.18 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 10.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' N ' HG12 ' A' ' 23' ' ' ILE . 4.7 mmtt -90.69 165.16 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 10.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 120.27 18.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.13 -20.73 35.01 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.546 1.154 . . . . 10.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.39 179.11 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.804 . . . . 10.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' OE1' ' CG2' ' A' ' 70' ' ' THR . 0.5 OUTLIER -133.74 178.41 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 10.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 14.5 t -128.49 133.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -105.22 121.41 43.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 10.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 19.0 m-90 -106.73 99.69 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 10.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -88.4 130.75 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -78.86 99.96 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 10.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -77.25 -63.17 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.586 1.179 . . . . 10.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -168.04 2.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 10.0 109.333 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.47 66.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 109.22 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 11.6 p -99.0 152.33 37.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 10.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.066 -2.472 . . . . 10.0 111.039 -0.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.82 132.21 7.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.517 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -127.67 121.75 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -100.1 77.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.378 1.049 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -83.89 146.98 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 10.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -122.11 133.74 54.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 10.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.3 154.17 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.294 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.12 76.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.4 26.15 9.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 10.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.82 163.06 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 0.774 . . . . 10.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.14 175.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.06 -44.77 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -43.94 88.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -67.86 -52.96 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.433 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.57 -29.71 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 10.0 109.165 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.81 40.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 10.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.28 -50.69 72.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 10.0 109.379 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.9 mt -68.4 -14.27 62.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 10.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 7.2 t -87.94 103.85 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 10.0 110.026 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.2 m-70 -75.39 103.1 5.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 10.0 109.549 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -93.48 35.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.13 -167.36 14.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.45 120.72 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.78 126.46 34.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.96 -66.84 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 135.74 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.08 90.74 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 10.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.68 -33.02 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.58 1.175 . . . . 10.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.47 100.86 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 10.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.4 p -105.63 155.32 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.435 1.084 . . . . 10.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.2 m-85 -108.72 173.06 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 10.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.413 ' CG2' ' OE1' ' A' ' 28' ' ' GLU . 8.0 m -144.76 149.13 34.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 10.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -145.0 127.01 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 10.0 110.038 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -102.73 141.96 34.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 10.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.715 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 54.1 m-85 -120.07 99.38 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -0.78 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.9 133.08 19.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 10.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 151.03 38.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 10.0 111.007 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.25 -149.19 15.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 10.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m -145.16 102.28 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 10.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.715 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 87.7 m-85 -94.01 162.18 13.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.9 m -138.75 144.14 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 10.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -138.45 152.34 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 10.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 8.1 p90 -144.78 165.11 29.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 108.368 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.429 ' C ' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.507 0.194 . . . . 10.0 110.993 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' GLY . 91.3 t -42.78 -28.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 91' ' ' MET . . . -35.82 123.93 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 10.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -142.47 179.07 7.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 10.0 109.319 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.61 159.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.03 100.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 23' ' ' ILE . 4.9 t -85.99 131.42 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 10.0 109.357 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -142.05 146.71 35.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -139.34 143.8 37.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 10.0 110.415 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 21.9 t -125.48 162.75 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 10.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -110.85 116.5 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 10.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LYS . 33.6 mtt -36.57 -63.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 10.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.37 158.91 15.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -78.91 165.35 23.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 10.0 109.965 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -39.6 -50.67 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -100.83 45.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 10.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 38.77 61.98 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 10.0 111.06 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 169.11 10.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 10.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 3.6 mm? -75.38 -172.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 10.0 109.309 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 6.5 m 50.16 -179.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 10.0 109.389 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -130.4 152.36 49.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.97 137.17 20.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.552 1.157 . . . . 10.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 138.54 56.66 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.968 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -35.06 -52.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 10.0 110.065 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.6 m -125.44 149.02 48.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 19.6 m -134.46 164.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 10.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.5 139.31 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 10.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -143.88 151.97 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' HD12 ' A' ' 23' ' ' ILE . 6.7 mmtt -109.23 163.93 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 10.0 109.374 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.51 87.48 3.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 10.0 109.367 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.15 -29.63 1.65 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.118 . . . . 10.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' CB ' HD13 ' A' ' 23' ' ' ILE . 2.4 mp0 -78.85 -179.54 6.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 10.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -135.41 176.48 8.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 10.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.586 ' HB ' ' CH2' ' A' ' 31' ' ' TRP . 79.5 t -126.62 147.88 31.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -112.52 133.79 54.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 10.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.586 ' CH2' ' HB ' ' A' ' 29' ' ' VAL . 21.6 m-90 -122.27 101.42 7.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 33' ' ' ASN . 92.6 t -90.2 139.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 10.0 109.396 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' N ' HG11 ' A' ' 32' ' ' VAL . 65.7 t30 -81.36 108.76 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.01 -76.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 10.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 179.34 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.99 63.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 28.4 p -86.76 151.5 52.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 10.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 -170.55 8.37 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.997 -2.501 . . . . 10.0 110.969 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.63 153.53 28.71 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 10.0 109.549 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.417 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 1.9 m120 -153.18 155.83 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 10.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.559 HG21 ' CD2' ' A' ' 81' ' ' TYR . 20.3 mt -135.9 61.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.73 130.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 10.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.1 m-85 -97.02 144.99 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 10.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.45 131.95 44.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 10.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . . . -107.55 85.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -69.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.11 4.07 82.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 10.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.523 HG12 ' CZ ' ' A' ' 79' ' ' TYR . 18.0 t -119.5 168.45 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.461 0.741 . . . . 10.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.72 142.35 53.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 10.0 109.226 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -69.08 -41.51 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.626 1.204 . . . . 10.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -58.86 -68.26 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -48.26 -39.54 21.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.325 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . . . -71.78 -28.91 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 10.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -56.37 -57.55 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.612 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 10.6 mt -84.84 -7.07 59.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 10.2 p -90.68 122.36 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 14.7 m-70 -100.08 101.44 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.79 -26.47 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 10.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 40' ' ' ASN . . . 98.03 -135.62 12.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 10.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 79.44 41.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 10.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.74 117.97 35.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 54.8 m-85 -121.49 -56.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.387 1.054 . . . . 10.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 140.01 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 10.0 109.176 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.56 73.52 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.36 -41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.444 1.09 . . . . 10.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.32 104.25 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 10.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.3 p -105.98 159.02 16.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 16.1 m-85 -115.85 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 10.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -145.07 150.71 37.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 10.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 5.6 p -145.29 133.68 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 m -107.64 142.38 37.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 110.418 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.712 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 52.2 m-85 -120.58 100.27 7.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.96 -29.47 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -102.86 143.58 26.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 10.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.9 32.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 10.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.7 16.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 10.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -112.79 137.18 51.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 10.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.712 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 89.2 m-85 -119.84 163.69 17.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 10.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 m -142.58 141.61 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.325 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CD2' HG21 ' A' ' 41' ' ' ILE . 34.6 p90 -142.84 161.52 37.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 10.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 94.1 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 10.0 108.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.432 0.158 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.86 143.37 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.6 133.25 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 10.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -144.61 153.78 42.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 10.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.07 156.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 10.0 109.367 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.9 t -129.55 117.56 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 10.0 109.24 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.454 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 21.2 t -100.79 101.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.179 . . . . 10.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.67 129.47 56.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 10.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 t -119.47 150.2 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 10.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -137.68 112.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 109.278 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.78 114.83 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.467 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 30.6 mtt -57.47 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 10.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.39 176.91 49.69 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.473 1.108 . . . . 10.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.396 0.704 . . . . 10.0 109.961 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 t70 -39.31 -42.12 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 36' ' ' LEU . . . -37.87 -36.2 0.3 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.537 1.148 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 36' ' ' LEU . . . 68.1 118.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 10.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tp -145.1 -61.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 10.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.02 -157.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 6.1 p90 -145.14 129.52 17.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 10.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 13.0 tt0 -144.43 135.12 12.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 10.0 110.308 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 148.37 91.59 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.029 0.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.513 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 12.2 p -43.8 -42.83 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.945 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.7 m -138.6 162.81 33.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 10.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -142.01 137.6 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 10.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.46 129.25 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 10.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.491 ' CG2' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -126.21 162.05 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 10.0 109.272 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -108.52 150.89 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 10.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 96.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 10.0 109.38 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.11 -23.11 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' CB ' HD12 ' A' ' 23' ' ' ILE . 51.5 mm-40 -74.67 -179.68 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.392 0.701 . . . . 10.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -134.12 168.46 18.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 10.0 110.25 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 2.4 t -127.19 145.66 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 10.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' N ' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -112.3 117.84 33.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.347 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 13.7 m-90 -101.65 100.09 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.01 145.68 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 10.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -86.97 101.0 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -66.76 -67.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -171.57 177.27 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 10.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 79.37 49.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 10.0 109.379 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 19.1 p -64.87 151.91 91.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 37' ' ' SER . 17.9 Cg_endo -75.06 -167.34 5.58 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.928 -2.53 . . . . 10.0 110.96 0.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.27 112.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 109.536 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 44.0 t30 -122.59 150.61 42.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.454 1.096 . . . . 10.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -125.84 78.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 13.3 t -83.6 132.86 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 4.4 m-85 -110.03 142.81 40.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 10.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 147.52 27.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 10.0 109.379 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 73.27 10.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.63 1.207 . . . . 10.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.15 100.31 11.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 10.0 109.225 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.38 -37.93 3.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 10.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.33 166.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 10.0 109.264 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 157.41 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 10.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.31 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.62 1.2 . . . . 10.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.71 -44.7 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -56.23 -52.57 63.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 10.0 110.43 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.44 -13.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -67.05 -60.68 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 10.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' CG ' HD21 ' A' ' 56' ' ' LEU . 3.9 ptpt -60.23 -38.08 82.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.27 -27.77 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -74.77 130.2 39.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 10.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 85.7 m-70 -105.41 101.0 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.345 1.028 . . . . 10.0 109.544 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.57 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.23 -31.45 5.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 10.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.96 124.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 10.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . . . -116.85 160.76 20.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 10.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -158.78 -44.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -77.73 107.59 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.216 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.36 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 10.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 164.74 -45.41 0.3 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.15 113.32 12.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.68 134.15 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 2.1 m-85 -89.22 177.55 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 10.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 m -145.22 145.26 31.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 10.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -139.19 134.2 32.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 10.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 47.4 m -102.55 128.86 49.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.543 1.152 . . . . 10.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.4 m-85 -95.33 97.95 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 10.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -38.88 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 10.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.01 124.52 61.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 10.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 85.35 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 10.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.3 -148.09 5.1 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.626 1.204 . . . . 10.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.2 t -134.04 99.49 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 10.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 69.6 m-85 -80.54 146.64 31.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 10.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -126.32 147.6 49.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 10.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' VAL . 3.7 p90 -151.16 154.77 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.173 . . . . 10.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 40.5 p90 -146.16 119.49 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 10.0 110.98 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 10.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.562 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 ttt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.44 0.162 . . . . 10.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 81' ' ' TYR . 13.4 m -132.17 -56.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.54 142.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 10.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -138.49 172.13 13.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 10.0 109.245 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.69 160.73 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.17 123.45 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.2 t -97.2 146.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.461 ' O ' ' CG1' ' A' ' 29' ' ' VAL . . . -113.4 107.49 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t -112.52 158.24 20.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 110.451 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.435 ' CG2' HG13 ' A' ' 21' ' ' VAL . 38.8 t -142.47 132.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -72.85 113.16 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 ttm -73.95 71.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.3 -174.29 15.59 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 10.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -85.58 169.18 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 0.721 . . . . 10.0 109.967 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.5 t70 -34.05 -47.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 10.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.23 89.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 10.0 110.07 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.03 -68.04 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.142 . . . . 10.0 111.028 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.2 166.71 22.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.757 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 1.2 tt -119.57 88.52 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.88 154.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 10.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 91' ' ' MET . 3.2 p90 -126.05 100.87 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 10.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.6 mt-10 -138.4 142.63 35.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -75.02 133.54 31.88 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 10.0 111.037 0.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.437 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 5.1 t -43.63 -52.29 6.45 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.479 1.112 . . . . 10.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 m -115.27 141.36 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.349 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 33.2 m -133.25 168.06 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.202 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.92 128.97 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' HG22 ' A' ' 97' ' ' VAL . 2.9 tt -126.43 154.9 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 10.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 23' ' ' ILE . 9.4 mmtt -86.49 164.85 16.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 10.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.47 73.64 7.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 10.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.47 -28.12 0.38 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 10.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -74.96 -179.98 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 10.0 110.36 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -130.69 178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 17.4 t -125.79 141.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 29' ' ' VAL . 9.3 ttpt -113.08 117.03 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 10.0 109.249 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 11.0 m-90 -104.27 99.36 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 10.0 107.961 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.89 133.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 33' ' ' ASN . 20.7 t-20 -75.46 100.9 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -62.28 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.86 -172.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 16.2 mt 66.21 69.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.227 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.468 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -87.84 155.36 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 10.0 110.1 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 -168.72 6.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.951 -2.521 . . . . 10.0 111.018 0.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.453 ' ND1' ' SG ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -158.95 130.12 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 10.0 109.594 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 60' ' ' GLY . 1.9 m120 -125.76 163.8 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.623 ' CG2' ' CD1' ' A' ' 81' ' ' TYR . 5.8 mt -148.53 69.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 10.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -80.09 134.7 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.4 m-85 -106.55 142.73 35.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.88 156.75 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.23 79.27 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -99.97 76.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 10.0 109.243 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -21.43 36.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 10.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -98.02 157.37 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 151.58 22.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.39 -53.16 20.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.221 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.26 -58.45 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -52.11 -42.06 62.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -65.7 -30.61 71.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.59 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.62 -22.63 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.627 ' CD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.8 mt -104.96 2.99 30.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 10.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.5 t -96.72 113.31 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.9 m170 -90.49 103.76 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -25.33 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.246 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 93.28 -147.85 18.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.119 . . . . 10.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER 87.32 39.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 10.0 109.328 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.95 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 10.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.17 -63.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.79 140.34 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.89 50.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 10.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.18 -41.57 0.1 OUTLIER Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.516 1.135 . . . . 10.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.35 112.22 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 10.0 110.223 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 p -108.71 145.36 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -94.89 173.86 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 10.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.0 m -145.19 145.09 31.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 3.3 p -145.3 129.46 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 10.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -101.2 137.14 39.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 110.386 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.678 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 43.3 m-85 -119.32 99.47 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -20.4 32.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 10.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -107.54 134.22 20.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.88 15.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 10.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.3 157.14 9.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.607 1.192 . . . . 10.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -89.26 125.5 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 0.837 . . . . 10.0 110.447 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.678 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 87.9 m-85 -109.14 158.3 17.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 10.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.7 m -136.94 148.09 46.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.623 ' CD1' ' CG2' ' A' ' 41' ' ' ILE . 41.5 p90 -151.82 153.61 34.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.75 -150.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 8.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 10.0 108.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.566 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.53 0.205 . . . . 10.0 110.951 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -152.56 -83.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 10.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.535 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . 65.54 152.19 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 10.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.44 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 10.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.1 t -94.58 164.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.4 t -142.65 107.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.634 1.209 . . . . 10.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.4 t -92.96 117.95 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 10.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.99 151.78 19.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.646 1.217 . . . . 10.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 12.7 t -143.81 148.56 35.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.611 1.194 . . . . 10.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 9.0 t -134.96 161.93 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 10.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -114.52 126.17 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' HIS . 1.7 mpp? -71.25 73.75 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 10.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.18 154.84 9.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 10.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.64 156.02 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 10.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.79 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 10.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 m -39.12 -57.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 10.0 110.057 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.06 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.545 1.153 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.67 173.69 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 10.0 109.25 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -127.04 83.84 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.327 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.53 -171.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 92' ' ' VAL . 2.1 p90 -134.07 108.66 8.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 10.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.62 139.45 33.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.148 . . . . 10.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 138.25 54.98 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 111.032 0.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PRO . 83.7 p -37.56 -42.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -128.84 131.77 47.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 18.6 m -123.0 151.5 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 10.0 109.343 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -102.3 143.07 32.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.325 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.453 HG23 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.56 145.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 10.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' N ' HD13 ' A' ' 23' ' ' ILE . 21.2 mttt -87.88 163.1 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.36 113.76 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.79 -31.4 5.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -179.46 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 10.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.87 173.15 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 23.1 t -119.67 152.5 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 10.0 109.239 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -120.41 125.94 49.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 25.3 m-90 -116.39 99.47 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 10.0 108.0 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.6 148.68 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 10.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.418 ' ND2' ' HE1' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.45 130.95 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.17 -80.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 10.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.24 -178.55 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.05 67.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -83.33 160.69 59.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.993 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.07 -174.55 14.35 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.979 -2.509 . . . . 10.0 110.99 0.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.13 95.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.674 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -104.57 151.41 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 10.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 31' ' ' TRP . 1.3 mt -118.5 71.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.61 130.92 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.3 m-85 -103.44 141.1 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.17 141.22 32.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.89 76.69 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 10.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.0 104.39 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.67 3.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.604 1.19 . . . . 10.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.8 t -78.85 165.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.26 165.43 2.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 10.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -81.18 -67.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -40.08 -51.74 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -50.91 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -46.22 -53.84 9.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 10.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.97 -52.26 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 10.0 109.285 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.52 -57.4 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 3.9 mt -63.7 -12.65 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.644 1.215 . . . . 10.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.1 p -81.52 122.49 27.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.937 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 27.8 m-70 -90.4 102.2 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 10.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.52 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.68 -29.62 5.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 10.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.07 118.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 0.757 . . . . 10.0 109.389 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 63' ' ' PHE . . . -87.11 174.66 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 10.0 109.386 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' ALA . 55.4 m-85 -164.14 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.61 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.05 85.49 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 10.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -32.53 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 10.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.46 99.93 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.809 . . . . 10.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.83 153.43 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -113.79 174.31 5.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -144.49 152.45 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 10.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 2.5 p -145.44 133.39 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 10.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 138.52 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.714 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 37.7 m-85 -119.04 98.86 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 10.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.97 -25.61 40.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -107.59 131.77 21.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 144.89 30.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 10.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.73 -171.43 36.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 10.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.1 m -115.4 123.95 49.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 10.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.714 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 91.2 m-85 -111.8 164.02 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 51.9 m -135.92 150.51 49.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CD2' HG21 ' A' ' 41' ' ' ILE . 14.8 p90 -152.32 163.01 40.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.58 177.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.403 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 41.9 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 10.0 108.308 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.409 ' HB2' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.441 0.163 . . . . 10.0 111.054 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 4.7 m -152.42 125.83 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 10.0 109.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.494 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . -117.39 178.6 17.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -144.76 140.07 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 10.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.7 t -107.49 161.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 10.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.58 120.82 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 10.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG1' HG23 ' A' ' 23' ' ' ILE . 1.8 t -115.02 134.69 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 10.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 10.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.22 132.63 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.232 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -138.85 148.81 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.2 t -139.2 149.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 10.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -103.68 121.35 42.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 10.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.46 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -63.1 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 10.0 110.963 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.53 151.14 11.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 10.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -82.29 138.05 34.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 10.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -42.61 -56.23 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 10.0 109.371 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -59.73 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 10.0 110.048 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.68 62.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 10.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.88 167.41 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 0.813 . . . . 10.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.66 53.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.44 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 10.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.499 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 50.8 m-85 -76.51 115.21 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 10.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 5.8 tt0 -127.93 136.14 28.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 110.362 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.5 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 138.47 56.28 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.994 -0.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -53.13 -49.21 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 10.0 110.034 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -104.53 142.3 34.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 10.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.17 146.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.537 1.148 . . . . 10.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.48 142.62 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 10.0 110.32 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -144.79 157.44 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -110.77 159.26 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.24 96.49 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 10.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.48 -15.33 8.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.411 1.07 . . . . 10.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' CB ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp0 -74.8 -179.94 4.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 10.0 110.371 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -128.3 164.01 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 10.0 110.291 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 27.5 t -133.86 136.6 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 139.96 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 10.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.521 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 7.4 m-90 -123.1 99.76 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.5 t -86.4 136.48 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.07 139.46 36.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -111.29 -66.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.624 1.203 . . . . 10.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -161.46 -169.22 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 10.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 2.0 mm? 64.29 70.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 10.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 16.0 m -93.14 149.69 37.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 10.0 110.034 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.04 -166.45 4.9 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.964 0.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.46 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -156.38 118.65 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.609 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 5.9 m120 -121.11 142.27 50.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 10.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.89 69.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 10.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.71 142.8 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.445 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 6.0 m-85 -116.28 139.1 50.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.11 148.15 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.76 75.98 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.77 104.9 15.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.95 -41.99 3.13 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 52' ' ' THR . 38.9 t -83.57 168.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 0.733 . . . . 10.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 170.97 2.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 109.364 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.32 -63.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 10.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 3.7 m-20 -45.39 -45.46 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.409 HG23 ' CG1' ' A' ' 48' ' ' VAL . 7.1 m -55.15 -64.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.418 1.074 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.66 -24.64 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -58.15 -62.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.402 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -56.95 -36.6 70.46 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.338 1.024 . . . . 10.0 109.274 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.18 -26.17 63.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 10.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 35.8 t -77.73 141.06 39.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 31.7 m-70 -105.26 99.67 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.172 . . . . 10.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -97.32 34.79 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.36 -130.8 6.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 10.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.39 122.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 10.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.63 128.63 53.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -144.71 -45.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.352 1.032 . . . . 10.0 111.003 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 108.59 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 10.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.79 118.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.67 -40.08 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 10.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.23 104.79 5.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 0.745 . . . . 10.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.63 127.1 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 10.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 13.4 m-85 -88.78 176.94 6.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 10.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.87 159.02 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 10.0 110.353 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.512 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.1 t -144.8 147.14 32.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 10.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.6 m -121.72 115.17 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -91.63 99.28 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.43 -27.32 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.36 126.7 35.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 87.61 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 10.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.88 -148.38 4.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 10.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.9 m -136.96 102.23 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 10.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.755 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 62.4 m-85 -83.56 147.45 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 10.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.1 m -123.36 143.81 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 10.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -144.34 149.48 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 10.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 20.3 p90 -153.74 121.36 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 10.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.288 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.499 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 5.0 mtt . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.516 0.198 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -105.15 171.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 10.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.97 138.33 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 10.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -144.6 158.82 43.6 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.464 0.743 . . . . 10.0 109.238 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -108.66 158.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.18 122.42 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 10.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 3.6 t -105.41 135.41 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 10.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 10.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -88.24 152.51 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 t -145.8 157.41 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 10.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 6' ' ' LYS . 34.5 t -145.49 144.84 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 10.0 109.223 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.412 ' N ' HG11 ' A' ' 5' ' ' VAL . 4.2 pttm -96.26 127.18 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 10.0 109.272 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 18.9 mtm -64.66 90.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.59 -142.35 16.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 10.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.6 t -134.98 160.39 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 10.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -65.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -48.22 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.43 ' HA2' ' CD2' ' A' ' 36' ' ' LEU . . . 123.13 56.72 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 10.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 178.18 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 10.0 109.29 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -75.13 -163.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 10.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 7.1 m 50.93 177.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 60.8 m-85 -125.82 141.37 52.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 10.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.73 130.45 18.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.94 135.54 40.97 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.038 -2.484 . . . . 10.0 111.055 -0.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 m -54.93 -51.78 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 10.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -108.84 138.84 44.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 20.5 m -142.09 145.71 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 10.0 109.335 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.91 138.68 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 10.0 110.41 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 73' ' ' PHE . 8.3 tt -141.9 159.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.1 mmtt -95.95 161.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 10.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 87.01 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 10.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 144.3 -22.57 2.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 10.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.95 -178.53 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -129.52 173.84 10.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 110.309 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.6 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 3.6 t -131.49 142.43 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 10.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -116.27 125.61 52.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.486 1.116 . . . . 10.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.6 ' CZ3' HG13 ' A' ' 29' ' ' VAL . 6.3 m-90 -112.29 100.06 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 33' ' ' ASN . 95.8 t -88.35 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' N ' HG11 ' A' ' 32' ' ' VAL . 49.3 m-80 -79.71 119.25 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' SER . 2.1 t-20 -85.23 -71.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.464 1.103 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -167.2 -157.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 10.0 109.322 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD2' ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 43.04 62.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 10.0 109.246 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.4 m -83.44 160.14 60.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.052 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.91 -172.56 10.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.032 -2.487 . . . . 10.0 110.992 -0.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.29 97.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 10.0 109.65 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 61' ' ' LEU . 13.9 m-80 -93.47 146.22 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 10.0 109.38 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.514 ' CD1' ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.68 81.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.01 147.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' HZ ' ' CH2' ' A' ' 31' ' ' TRP . 4.8 m-85 -125.31 131.51 53.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.38 160.21 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.73 75.83 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 10.0 109.371 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.72 -71.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 10.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.96 64.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.432 1.082 . . . . 10.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.09 154.05 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.491 0.759 . . . . 10.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.52 162.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.65 -46.15 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.633 1.208 . . . . 10.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -45.67 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 m -61.21 -63.35 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 10.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.22 -38.0 38.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.098 . . . . 10.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -51.88 64.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 10.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -53.77 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 73' ' ' PHE . 3.8 mp -64.55 -14.86 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 10.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 t -86.79 112.79 22.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 10.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.3 m-70 -80.76 104.39 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 10.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 35.57 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.92 -145.07 13.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 10.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 8.8 tp -162.1 124.68 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.746 . . . . 10.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.96 157.44 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 10.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 35.3 m-85 -154.74 -46.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 141.39 31.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 10.0 109.359 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.19 -43.45 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.386 1.054 . . . . 10.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -76.89 145.65 38.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 10.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -145.5 143.52 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 110.017 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.9 m-85 -96.13 172.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 10.0 111.015 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.6 m -145.52 146.78 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 10.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p -144.43 124.92 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 10.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.7 m -86.9 125.66 34.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CD1' HD23 ' A' ' 56' ' ' LEU . 3.1 m-85 -93.94 98.55 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 10.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -93.07 -49.95 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.72 120.46 80.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 10.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.01 61.03 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 10.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.19 -142.68 6.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -143.03 106.49 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 10.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HD21 ' A' ' 56' ' ' LEU . 53.1 m-85 -87.16 152.86 21.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -131.81 149.62 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 10.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -147.59 152.33 37.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 10.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 3.7 p90 -158.43 110.42 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 10.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.431 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 1.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 10.0 108.228 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.595 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.512 0.196 . . . . 10.0 110.954 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.64 167.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.55 129.96 2.73 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.546 1.154 . . . . 10.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -143.98 170.61 15.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 10.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -124.88 158.17 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -135.53 114.9 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 10.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 11.8 t -74.39 152.87 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.0 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.6 136.22 40.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 10.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -132.54 146.36 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.77 138.2 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.389 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.2 pttp -82.64 52.81 2.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.8 mtt 37.2 -94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 10.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -70.71 -161.63 3.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 10.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -119.69 151.89 38.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 0.774 . . . . 10.0 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 10.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -41.91 -47.82 4.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 10.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.08 63.67 0.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.595 1.184 . . . . 10.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.83 139.41 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 10.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.2 76.57 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -160.85 -163.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 69.1 m-85 -137.85 135.69 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -136.06 136.23 22.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 10.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.95 137.25 49.28 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 10.0 111.046 -0.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' PRO . 3.2 m -35.27 -49.96 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 10.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -120.75 139.33 53.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 10.0 110.343 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 35.0 m -130.97 144.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.433 1.083 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.31 138.48 32.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 10.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -145.87 152.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 10.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -93.68 157.21 16.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.94 114.26 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.98 -11.3 37.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 10.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.21 -179.31 4.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 10.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -128.82 163.07 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.518 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.3 t -123.18 157.85 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.411 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.6 ttpt -131.17 128.26 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.518 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.9 m-90 -116.71 99.56 7.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 10.0 107.984 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 33' ' ' ASN . 98.3 t -84.23 144.0 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.419 ' N ' HG11 ' A' ' 32' ' ' VAL . 49.8 t-20 -83.44 134.91 34.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -121.12 -68.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -154.99 -168.62 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 60.98 69.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.634 1.209 . . . . 10.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -132.73 162.06 59.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 10.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.0 173.54 57.39 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.996 -2.501 . . . . 10.0 110.998 -0.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -176.78 167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.591 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.413 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 46.9 p30 -140.97 168.6 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -126.17 83.81 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 10.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 93.5 t -80.88 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HZ ' ' CH2' ' A' ' 31' ' ' TRP . 6.0 m-85 -118.19 144.49 45.69 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 10.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.78 144.77 31.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 10.0 109.303 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.58 76.69 9.52 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 10.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -96.07 100.19 11.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 10.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -30.79 5.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 10.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.21 163.45 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 10.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -58.75 164.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.52 -55.72 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.8 m-20 -46.95 -49.06 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -55.25 -62.32 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 10.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -53.74 -24.46 15.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -55.66 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -52.95 -43.12 66.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.648 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 10.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -74.68 114.45 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.9 m-70 -74.6 99.98 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 10.0 109.652 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.1 37.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 10.0 109.375 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.25 -146.73 7.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 10.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD21 ' CZ ' ' A' ' 63' ' ' PHE . 6.0 tp -172.79 124.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 10.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.7 144.31 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.516 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 40.1 m-85 -131.24 -58.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.73 130.31 38.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 10.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.73 90.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.47 -36.17 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.52 109.07 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 10.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.4 p -111.9 153.93 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 10.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 24.7 m-85 -104.69 172.72 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -145.29 154.31 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -141.15 174.8 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 10.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -145.68 110.69 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 10.0 110.437 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.724 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.4 m-85 -89.5 98.73 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -60.62 2.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.401 1.063 . . . . 10.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.58 127.64 91.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 80.59 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 10.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.07 -146.66 5.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 10.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -137.15 117.67 13.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 0.808 . . . . 10.0 110.371 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 45.7 m-85 -97.04 160.0 14.59 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 10.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.3 m -137.53 153.21 50.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 10.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE1' ' HA ' ' A' ' 94' ' ' LYS . 8.2 p90 -148.91 152.45 36.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 10.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -143.66 136.13 27.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 10.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 1.8 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.352 1.033 . . . . 10.0 108.311 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.574 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.7 mtt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.668 0.27 . . . . 10.0 111.04 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 93' ' ' GLY . 71.0 t -99.63 -95.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.298 0.999 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.443 ' C ' ' CZ ' ' A' ' 81' ' ' TYR . . . 60.82 135.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.586 1.179 . . . . 10.0 110.994 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 69.1 mttt -138.87 176.91 8.29 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.549 0.793 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.12 165.91 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 10.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.1 t -145.19 115.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 10.0 109.199 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.4 t -91.12 142.77 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 10.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -80.26 156.96 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -146.54 155.38 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 10.0 110.452 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 117.4 34.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.201 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.425 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -44.97 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 10.0 111.046 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.63 140.59 24.49 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.6 1.188 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.03 156.46 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 10.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.14 -39.15 81.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.72 40.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.02 50.38 3.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 10.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.98 163.26 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 10.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt -84.07 -59.76 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -41.16 128.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 10.0 109.225 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 72.1 m-85 -75.25 135.3 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 10.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.9 tt0 -134.21 131.69 20.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 10.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.03 132.41 27.47 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.006 -2.498 . . . . 10.0 110.97 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.442 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 79.4 p -51.39 -53.43 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 10.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -102.7 139.09 38.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 10.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 23.0 m -144.91 134.35 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 10.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -82.88 145.47 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 97' ' ' VAL . 5.7 tt -145.79 158.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 10.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.45 161.53 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 10.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 104.31 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 10.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.24 -13.08 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 10.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.75 -179.35 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 0.702 . . . . 10.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.11 178.21 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 10.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 t -145.39 126.95 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -101.82 120.45 40.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 9.0 m-90 -103.99 99.78 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 33' ' ' ASN . 49.3 t -91.42 143.57 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 10.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.416 ' N ' HG12 ' A' ' 32' ' ' VAL . 56.1 t-20 -93.37 119.42 32.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.63 1.206 . . . . 10.0 109.266 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -90.58 -62.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -172.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.6 mp 67.44 68.19 0.38 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.476 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.4 p -95.13 151.73 38.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.483 1.114 . . . . 10.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.94 -165.35 4.1 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 10.0 111.039 -0.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -165.93 121.8 1.3 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 10.0 109.623 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -122.1 137.88 54.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 10.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.425 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 1.1 mp -109.88 69.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.36 140.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 10.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 5.8 m-85 -116.74 130.37 56.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.14 149.38 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 10.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.1 80.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -100.33 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.596 1.185 . . . . 10.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.56 9.37 64.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.2 t -129.78 162.99 36.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.565 0.803 . . . . 10.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.16 171.54 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.82 -53.4 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 10.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -47.69 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -57.96 -53.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -61.06 -24.73 66.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 10.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.625 1.203 . . . . 10.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -48.64 70.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -62.39 -28.0 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.8 t -77.47 122.54 25.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 47.7 m-70 -93.49 101.29 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.684 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -40.42 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 10.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.67 170.85 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 10.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -119.62 138.1 53.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 0.715 . . . . 10.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB1' ' CZ ' ' A' ' 69' ' ' PHE . . . -127.66 107.71 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -118.92 -40.74 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 10.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 120.72 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.91 168.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 10.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.86 -39.27 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.414 1.071 . . . . 10.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.35 113.33 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 10.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -135.51 139.26 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB1' ' A' ' 62' ' ' ALA . 15.9 m-85 -97.92 173.0 7.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -145.17 153.1 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 10.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.9 p -137.06 -179.79 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 10.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 m -143.01 138.56 30.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 10.0 110.46 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.801 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -111.89 98.72 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 10.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -39.36 24.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.99 53.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.572 1.827 . . . . 10.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.45 -138.56 3.76 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.397 1.061 . . . . 10.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -143.82 107.37 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.801 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 32.6 m-85 -87.54 151.73 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -126.25 143.56 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.86 157.19 40.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.407 1.067 . . . . 10.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.13 177.95 10.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.469 1.105 . . . . 10.0 111.02 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.267 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.6 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 25.9 mtt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.468 0.175 . . . . 10.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 91' ' ' MET . 35.9 m -155.71 125.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 10.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.66 135.16 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 10.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.89 161.65 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.71 153.0 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 10.0 109.308 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.61 112.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.608 1.193 . . . . 10.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.464 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -80.33 177.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 10.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ILE . 21.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -101.62 156.66 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 10.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -138.94 153.31 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.4 t -145.56 138.03 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -94.95 129.73 41.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.464 ' CE ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.98 82.85 4.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 10.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.7 -155.42 16.24 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.486 1.116 . . . . 10.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -139.08 151.53 46.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 10.0 110.005 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.14 -59.0 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 10.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -63.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 10.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 88.81 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 10.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.06 150.43 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 0.722 . . . . 10.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -85.34 58.0 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.529 1.143 . . . . 10.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 m -136.49 166.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 10.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.602 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 29.1 m-85 -126.34 110.23 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.2 tt0 -127.18 128.36 24.12 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 10.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 141.48 71.91 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.073 -2.47 . . . . 10.0 110.966 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -44.45 43.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 10.0 109.959 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -113.91 133.56 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.21 167.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -99.2 150.77 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 110.456 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.488 HD13 ' CB ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -145.5 143.92 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' N ' HD12 ' A' ' 23' ' ' ILE . 8.9 mmtt -88.28 140.12 29.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 10.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.34 99.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.58 -26.87 4.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.405 1.066 . . . . 10.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CB ' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.36 -178.73 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 0.761 . . . . 10.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -133.53 171.58 13.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 70' ' ' THR . 2.4 t -126.62 161.13 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -124.99 120.68 32.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 8.3 m-90 -106.72 99.81 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.93 -1.137 . . . . 10.0 107.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.6 143.27 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 10.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -85.76 122.74 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -91.7 -77.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.37 178.91 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.52 70.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.38 1.05 . . . . 10.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.45 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 1.2 p -89.69 157.27 46.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 10.0 109.93 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.07 -169.57 7.49 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.987 -2.505 . . . . 10.0 110.963 0.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -156.71 92.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 10.0 109.616 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.62 138.14 32.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 10.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 HD12 ' CE ' ' A' ' 7' ' ' MET . 4.4 mt -119.1 65.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 10.0 109.327 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.74 129.83 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 10.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 5.6 m-85 -102.63 143.18 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.7 146.36 26.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 10.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.9 75.02 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 10.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.68 100.04 10.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.76 -28.95 6.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.97 168.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 10.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.65 170.1 6.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 10.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.22 -54.75 5.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 10.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -38.01 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 10.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 m -61.54 -62.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -53.96 -22.31 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -63.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -57.25 -44.04 83.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -63.8 -29.42 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 10.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.05 147.24 40.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 10.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 18.9 m-70 -112.36 99.04 7.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.525 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -99.05 40.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.31 -132.53 6.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 10.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.94 130.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 10.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.43 151.61 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 10.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -160.1 -44.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.589 1.18 . . . . 10.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 119.23 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.71 91.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.39 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.89 -37.71 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 10.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.87 106.47 16.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 m -118.12 140.73 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 10.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.486 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.5 m-85 -94.31 169.37 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 10.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 28.2 m -145.69 148.41 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 110.402 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 10.9 p -138.68 154.16 48.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 10.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 4.0 m -121.32 119.49 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 10.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.9 m-85 -88.11 97.91 11.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -54.6 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 130.55 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 110.249 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 87.42 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 10.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.88 -143.59 4.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.58 1.175 . . . . 10.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -141.68 99.87 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.686 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.2 m-85 -83.3 147.57 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 10.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.3 m -132.8 148.9 52.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -144.96 153.43 41.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.604 1.19 . . . . 10.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -135.35 169.87 16.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 10.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 3.4 mtm . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.512 0.196 . . . . 10.0 110.982 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -132.16 -93.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . 66.8 132.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 10.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.15 149.23 36.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.756 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.25 157.4 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.1 t -141.17 126.56 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 10.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.8 t -93.41 130.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 10.0 109.297 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -95.51 125.98 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 11.0 t -120.74 149.39 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.469 ' CG2' ' CG2' ' A' ' 21' ' ' VAL . 89.5 t -134.81 141.86 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.13 134.62 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 10.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.2 mtm -71.89 75.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 10.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.57 -138.94 13.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 10.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.11 159.21 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -53.45 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 -53.19 9.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 10.0 109.968 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.58 58.69 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 10.0 111.018 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.2 42.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 10.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -75.75 60.58 1.31 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 10.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 17.1 m -158.42 148.52 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 0.8 OUTLIER -114.79 132.63 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 10.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.0 mt-10 -137.37 139.95 29.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 10.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 132.46 27.64 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.938 -2.526 . . . . 10.0 111.027 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.458 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.8 p -63.08 -15.28 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 10.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -141.78 136.17 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 10.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG2' ' CG2' ' A' ' 5' ' ' VAL . 1.8 t -135.32 175.64 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.32 136.86 45.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -137.94 155.53 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 10.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.73 154.06 18.26 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.412 1.07 . . . . 10.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.91 101.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 10.0 109.37 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.24 -18.67 8.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.428 1.08 . . . . 10.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.03 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 0.746 . . . . 10.0 110.339 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.402 ' CA ' ' O ' ' A' ' 71' ' ' SER . 1.9 pm0 -129.99 177.39 7.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.24 155.77 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 10.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' ' OG1' ' A' ' 4' ' ' THR . 5.5 ttmm -125.86 134.95 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 8.3 m-90 -124.04 99.65 6.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 33' ' ' ASN . 60.0 t -87.35 143.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -74.94 133.32 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -107.52 -68.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -173.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 67.4 62.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.468 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 6.2 p -85.53 153.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.05 -168.09 6.2 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.002 -2.499 . . . . 10.0 111.073 -0.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.16 140.91 23.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.498 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.05 135.88 22.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.498 HG23 ' CE1' ' A' ' 43' ' ' PHE . 2.3 mt -125.68 71.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.36 138.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -109.42 147.66 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.53 146.31 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 10.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.08 78.09 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -106.86 97.01 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.46 -25.64 12.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 10.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -96.39 152.85 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.59 155.76 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.497 1.123 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 -56.14 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 10.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.39 42.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.583 1.177 . . . . 10.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 m -64.05 -67.61 0.42 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.423 1.077 . . . . 10.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -44.15 -38.68 3.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 10.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.2 -58.72 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.35 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.632 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.2 mp -73.09 -4.94 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 10.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -91.73 133.45 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.042 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 12.4 m-70 -112.66 99.65 8.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 109.585 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -43.7 -32.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.01 131.47 7.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 10.0 111.01 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.99 41.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 10.0 109.225 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.33 110.73 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 55.8 m-85 -122.52 -64.26 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 10.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.93 141.89 34.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 10.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.72 86.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 10.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.74 -39.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.2 mt-10 -80.0 100.71 8.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.8 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 p -109.34 151.56 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 10.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.462 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.2 m-85 -104.52 172.25 6.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -143.76 154.22 43.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 110.397 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.4 t -145.42 148.74 33.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 10.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 m -123.2 127.78 49.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 10.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.727 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -104.5 99.06 8.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -36.76 29.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.378 1.049 . . . . 10.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.29 125.61 55.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 85.85 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.471 1.774 . . . . 10.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.69 -149.49 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.453 1.095 . . . . 10.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.65 0.853 . . . . 10.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.727 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 50.3 m-85 -82.16 159.14 23.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 10.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.5 m -121.68 151.07 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 10.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 1.8 p90 -168.61 157.44 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 10.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -173.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 10.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 108.294 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.547 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 7.1 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.606 0.241 . . . . 10.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -116.83 124.85 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.92 142.11 10.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 10.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -143.22 145.44 32.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.82 165.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 10.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.4 121.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.411 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.5 t -97.19 154.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . 16.9 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 10.0 109.369 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -111.73 105.2 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 10.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 t -98.45 162.65 13.05 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.439 1.087 . . . . 10.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 10.5 t -145.71 161.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 10.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 mttm -114.38 118.33 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 77.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.83 -152.6 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.044 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.426 ' N ' HD22 ' A' ' 34' ' ' ASN . 2.7 t -133.68 163.88 28.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 10.0 110.062 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.7 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 10.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -61.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 10.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.68 69.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 10.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.48 160.52 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 0.78 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.55 -54.44 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 10.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -46.69 121.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 10.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 5.1 m-85 -74.91 143.51 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -140.19 133.77 15.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 10.0 110.206 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.97 133.8 33.07 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.047 -2.481 . . . . 10.0 110.98 -0.051 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 28.7 p -51.39 -52.02 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.5 m -105.96 133.61 50.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 10.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 13.8 m -140.27 145.1 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 2.0 m -82.86 150.6 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 10.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.15 136.97 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 10.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.445 ' N ' HD11 ' A' ' 23' ' ' ILE . 12.0 mmtp -78.13 145.37 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.78 99.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.42 4.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.165 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.05 -179.06 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 10.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 2.1 pm0 -125.47 175.36 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.521 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 1.5 t -123.76 161.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 10.0 109.307 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -133.47 113.58 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.521 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 12.3 m-90 -101.39 99.41 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 10.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 134.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 10.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -90.67 131.27 36.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 10.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' ' 9' ' ' SER . 6.3 p-10 -106.12 -51.29 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.48 1.113 . . . . 10.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -164.29 -174.81 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.366 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.7 mm? 67.66 69.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.207 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 54.9 p -95.56 150.55 37.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 10.0 109.957 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 18.0 Cg_endo -75.06 -171.18 9.04 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.935 0.011 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -150.45 79.04 1.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 10.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.74 139.28 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 10.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.51 72.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -80.13 143.06 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 10.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 6.2 m-85 -118.19 130.39 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 10.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.13 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.96 80.57 2.75 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.541 1.151 . . . . 10.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.74 -72.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 10.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.1 13.28 67.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.092 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.431 HG13 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 t -135.48 163.32 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 10.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -68.87 175.4 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 10.0 109.225 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.64 -61.1 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -42.8 -55.91 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 10.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -54.86 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 10.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -65.85 -55.89 14.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 10.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.87 -28.83 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 10.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.591 1.182 . . . . 10.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.9 t -78.23 139.59 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 10.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.2 m-70 -108.43 99.65 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -102.43 25.78 8.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 10.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.87 -30.78 8.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 10.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 tp 63.79 122.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 10.0 109.232 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -104.35 157.8 16.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -158.76 -47.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.64 112.57 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 10.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 149.29 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.9 -37.76 3.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 10.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.29 128.4 35.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 10.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.59 133.11 37.96 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.153 . . . . 10.0 110.081 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.547 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 9.6 m-85 -90.66 178.02 6.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.6 m -145.35 151.11 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 10.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.504 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 9.3 t -142.36 145.08 33.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 m -115.0 123.96 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 10.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.745 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -101.35 98.72 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 10.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -38.88 25.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 10.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.12 125.73 47.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 10.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 94.84 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 10.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.31 -137.36 3.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.577 1.173 . . . . 10.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -145.2 99.77 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 10.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.745 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 77.4 m-85 -86.02 137.45 32.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 10.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -117.04 147.75 42.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -151.36 153.28 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 10.0 111.077 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 4.2 p90 -145.8 155.45 42.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 10.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.524 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 1.4 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.423 0.154 . . . . 10.0 111.055 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.67 176.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.46 125.72 2.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 10.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -145.28 167.35 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 10.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.66 153.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.8 t -135.74 119.46 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 10.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.45 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 3.4 t -106.63 138.23 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 10.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.482 ' HB3' ' CG2' ' A' ' 21' ' ' VAL . . . -137.12 138.02 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -144.39 155.45 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.065 . . . . 10.0 110.381 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -138.56 140.94 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 10.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -87.58 15.43 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.474 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 23.7 mtt 64.72 -70.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -96.44 -130.94 6.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 164.18 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 10.0 109.973 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -51.6 69.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.396 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -54.39 -58.52 7.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.29 92.27 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 10.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.02 153.87 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 10.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 56.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 7' ' ' MET . 15.9 m -116.38 179.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -146.2 115.95 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 10.0 111.025 -179.926 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.6 mt-10 -145.34 135.55 11.9 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 10.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 137.44 50.35 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.982 -2.507 . . . . 10.0 110.96 -0.007 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -53.44 -38.43 63.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 10.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -123.79 135.88 54.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 10.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 25.4 m -128.43 149.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.4 137.21 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 10.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.25 156.6 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.431 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.75 157.42 17.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 10.0 109.282 -179.874 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 82.68 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.6 -29.88 0.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 10.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -178.16 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 10.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.78 169.79 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.616 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.0 t -115.91 161.78 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -131.58 120.54 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.616 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 20.5 m-90 -110.88 98.54 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.118 . . . . 10.0 108.053 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.401 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -82.68 139.61 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 10.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 24.0 m-20 -78.4 100.69 6.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -81.08 -66.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 10.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.98 -156.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.77 70.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.539 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -117.83 163.12 25.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 10.0 110.114 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.06 167.99 78.79 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.999 0.036 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -178.63 140.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.59 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -127.67 176.19 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 6.4 mt -129.51 75.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 10.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 ' ND2' ' A' ' 40' ' ' ASN . 18.2 t -80.28 135.47 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 10.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.2 m-85 -106.85 143.41 34.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.26 142.82 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.38 79.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 10.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -102.28 101.35 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.42 -28.45 7.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.4 170.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.777 . . . . 10.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.68 147.35 39.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 1.162 . . . . 10.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -65.82 -59.02 4.29 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.526 1.141 . . . . 10.0 109.299 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 m-20 -39.83 -63.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -47.99 -56.74 6.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 10.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.95 -23.86 34.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -69.43 -34.28 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -10.18 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -110.69 -6.36 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.5 t -94.07 113.91 25.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 10.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.69 105.43 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 10.0 109.632 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -41.03 75.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 10.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.486 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 147.92 -143.1 10.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER 82.87 30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.272 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . . . -117.72 115.51 25.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 10.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.02 -41.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.75 104.94 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.58 112.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 10.0 109.38 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.52 -51.75 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 10.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 48.2 mt-10 -74.87 105.71 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 10.0 110.215 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m -108.12 143.0 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 10.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.71 169.3 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -145.52 146.59 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 10.0 110.425 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 4.8 p -145.57 126.63 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 10.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -105.34 135.44 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.317 1.01 . . . . 10.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 53.9 m-85 -113.64 99.55 7.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 10.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -88.31 -4.21 58.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 10.0 110.329 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -117.81 135.16 23.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 136.19 19.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 10.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.71 -176.55 35.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.423 1.077 . . . . 10.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 m -117.32 128.65 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 10.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 80.2 m-85 -109.93 162.79 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.5 m -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.408 1.068 . . . . 10.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 37.5 p90 -135.62 134.31 39.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -118.49 132.12 56.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 7.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 10.0 108.278 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.44 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.464 0.174 . . . . 10.0 111.028 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.559 HG23 ' CE2' ' A' ' 16' ' ' PHE . 11.5 m -141.26 -153.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 10.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . 149.41 148.0 4.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -137.12 144.97 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 10.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -114.04 157.37 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 10.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.97 126.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.443 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -117.09 120.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -145.03 104.26 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 10.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 4.6 t -116.65 153.8 31.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 10.0 110.356 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.2 t -143.53 102.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE3' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -59.28 145.49 42.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 10.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 mtt -81.21 77.15 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -135.38 9.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 10.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 5.7 m -145.27 151.2 37.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 0.8 . . . . 10.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -51.2 56.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 10.0 109.25 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -62.35 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 10.0 109.96 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.4 69.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.09 143.97 48.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 10.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.97 7.51 20.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 10.0 109.249 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -93.35 139.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CD1' ' HE3' ' A' ' 91' ' ' MET . 14.2 m-85 -79.22 108.11 12.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.6 tt0 -117.84 132.09 23.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 10.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 168.42 77.48 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 p -84.95 -33.47 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -127.3 132.75 50.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -135.35 140.21 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.21 -179.905 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.33 127.04 37.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 10.0 110.436 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 4.6 tt -127.91 156.56 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -99.81 165.56 11.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 10.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 79.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.58 -21.06 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.417 1.073 . . . . 10.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 4.8 mm-40 -74.64 168.87 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 0.723 . . . . 10.0 110.269 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.77 158.01 29.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 10.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.628 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 8.5 t -112.89 160.0 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.395 1.06 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 3.9 ttpt -139.77 112.6 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.628 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 18.4 m-90 -100.31 99.74 10.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 10.0 108.048 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -90.68 132.58 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.085 . . . . 10.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -79.82 101.31 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' SER . 31.4 t30 -74.44 -41.01 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 10.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 172.51 -163.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 66.23 59.5 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 10.0 109.213 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.07 151.25 51.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.412 1.07 . . . . 10.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.93 -166.54 4.94 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.025 -2.49 . . . . 10.0 111.024 -0.065 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -157.67 155.78 30.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 10.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 39' ' ' HIS . 11.6 m-80 -158.32 137.32 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 10.0 109.388 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -119.21 71.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.86 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 10.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 41' ' ' ILE . 4.2 m-85 -108.38 131.85 54.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.77 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -106.08 80.78 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 10.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.1 -68.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 10.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.29 16.54 60.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.09 . . . . 10.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 79' ' ' TYR . 16.5 t -139.08 169.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.549 0.793 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.12 155.79 37.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 10.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -80.69 -50.61 9.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -64.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 10.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 m -51.34 -41.06 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 10.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -67.39 -23.63 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.19 -26.8 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 10.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -14.41 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.664 ' CD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.2 mt -106.58 -9.56 16.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 10.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 15.8 t -89.94 114.97 26.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 10.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 20.2 m-70 -89.99 103.29 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 10.0 109.522 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.2 35.62 2.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.78 -142.55 13.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 10.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.37 119.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 10.0 109.328 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.78 128.12 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 10.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 22.9 p90 -141.81 -46.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . . . -74.79 111.82 10.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' ALA . . . -40.4 138.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.5 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 10.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.27 111.76 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 10.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.4 p -135.9 162.49 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 10.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 26.5 m-85 -123.72 173.21 8.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 10.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 45.0 m -137.31 149.47 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 10.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 p -145.92 126.67 14.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 10.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -100.65 147.91 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 10.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.72 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 58.7 m-85 -129.88 99.19 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.19 . . . . 10.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -13.26 51.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.26 140.0 26.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 10.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 147.65 34.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 10.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.19 172.36 25.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 10.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -110.03 107.56 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.72 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 93.5 m-85 -93.82 154.3 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.6 m -131.25 154.19 48.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 10.0 110.355 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 52.8 p90 -150.48 143.27 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 10.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -123.42 -176.8 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 10.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 108.316 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 16' ' ' PHE . 4.0 ttt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.495 0.188 . . . . 10.0 110.996 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.6 t -149.54 -81.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 70.89 125.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 10.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.35 146.49 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 10.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.8 t -100.87 165.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -144.38 112.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -93.72 135.73 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.29 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.86 105.9 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 10.0 109.303 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -116.88 148.25 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.72 117.07 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 10.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -69.92 86.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.421 ' SD ' ' CE1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -60.47 83.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 10.0 110.966 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 130.1 112.14 1.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 10.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -75.34 139.99 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 0.718 . . . . 10.0 110.0 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -43.18 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -32.18 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 10.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.26 46.82 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 10.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.71 141.46 37.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 10.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.17 -28.82 60.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -76.48 168.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 10.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -118.85 155.9 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 10.0 110.999 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -145.66 129.11 8.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.11 157.62 99.39 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.938 -2.526 . . . . 10.0 110.925 0.101 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -74.62 -32.88 62.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -127.34 140.87 51.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 10.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.4 m -137.6 138.99 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.75 128.18 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -123.07 172.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 1.7 mttt -112.9 162.21 16.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 109.208 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.89 76.9 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 10.0 109.22 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.95 -18.74 1.41 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.147 . . . . 10.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -74.99 176.96 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 0.777 . . . . 10.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.59 165.1 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 10.0 110.372 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 2.5 t -127.52 146.08 33.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.533 1.146 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 120.69 32.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 10.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.488 ' CH2' ' HZ ' ' A' ' 43' ' ' PHE . 6.9 m-90 -106.31 99.8 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.03 130.79 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 10.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.59 101.54 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 10.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -80.55 -67.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 10.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.03 -162.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 10.0 109.375 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 68.04 70.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.239 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.457 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.2 m -126.26 157.9 68.53 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.05 167.97 78.85 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.991 -2.504 . . . . 10.0 110.958 0.071 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.421 ' CE1' ' SD ' ' A' ' 7' ' ' MET . 0.3 OUTLIER -178.79 155.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 10.0 109.532 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -140.33 172.49 12.66 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.415 1.072 . . . . 10.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.22 79.13 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.381 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 45.9 t -80.11 132.84 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-85 -105.0 125.18 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 10.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.63 154.89 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.85 76.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 10.0 109.211 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.56 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.11 5.7 75.19 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.42 1.075 . . . . 10.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.0 165.61 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.8 160.04 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.14 -59.93 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -44.02 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 109.359 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.76 -53.2 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 10.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -56.05 -28.4 57.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 10.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -62.55 -52.82 61.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 10.0 109.191 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.94 99.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 109.294 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.725 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -77.33 -4.97 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -93.98 114.74 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 10.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 9.9 m-70 -88.45 102.23 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -124.59 40.29 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.87 -27.58 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.84 109.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 10.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.97 158.29 16.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 10.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.87 -43.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 10.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 114.05 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.76 167.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.2 -39.32 3.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.468 1.105 . . . . 10.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.77 101.79 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 10.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.57 128.86 55.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 10.0 110.037 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.457 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 38.8 m-85 -82.53 173.64 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -140.93 158.58 43.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 110.419 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.3 p -145.92 173.31 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 10.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.2 m -146.23 122.14 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 10.0 110.377 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.0 m-85 -101.77 98.71 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.41 -58.89 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.615 1.197 . . . . 10.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -69.43 131.14 90.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 10.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 85.41 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 10.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.99 -147.8 5.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.434 1.084 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.9 m -142.28 116.25 9.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 0.754 . . . . 10.0 110.476 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 14.7 m-85 -92.09 158.98 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.8 m -142.89 151.08 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 110.415 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 9.1 p90 -148.33 179.53 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 10.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 12.7 p90 -153.78 -177.11 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 108.315 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.556 ' HE1' ' CE2' ' A' ' 16' ' ' PHE . 13.1 ptm . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.462 0.172 . . . . 10.0 110.946 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.82 -65.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 60.42 127.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.71 168.86 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 0.723 . . . . 10.0 109.277 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.8 t -129.59 159.41 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 10.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -138.0 136.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.38 1.05 . . . . 10.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.8 t -106.92 117.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 10.0 109.285 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 102.71 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 10.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 t -108.75 159.69 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 10.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -144.72 114.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 10.0 109.32 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -58.65 103.82 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 10.0 109.222 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.9 mtm -57.71 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 10.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 13' ' ' ALA . . . 96.24 144.65 17.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 10.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -75.93 154.85 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 10.0 110.011 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -27.88 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -51.79 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.899 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 36' ' ' LEU . . . -112.67 -20.5 6.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 10.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HA ' ' CA ' ' A' ' 8' ' ' GLY . . . 73.49 85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 91' ' ' MET . 9.7 tp -125.66 -58.74 1.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.142 . . . . 10.0 109.247 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -91.86 156.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 10.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 7' ' ' MET . 22.5 m-85 -93.11 119.64 32.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.66 135.77 27.39 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 10.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.94 133.1 29.87 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.007 -2.497 . . . . 10.0 111.04 -0.062 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.446 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.6 p -50.9 -53.76 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 110.064 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 136.52 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 10.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.481 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 35.9 m -145.08 138.24 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.19 123.29 39.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.547 HD12 ' CG ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -124.55 162.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' N ' ' CG1' ' A' ' 23' ' ' ILE . 3.3 mmtt -82.14 159.71 23.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 10.0 109.217 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.37 66.74 8.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 10.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 172.19 -31.73 0.12 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.431 1.082 . . . . 10.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.81 170.11 15.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 10.0 110.275 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.54 174.52 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 110.239 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.604 HG12 ' CE3' ' A' ' 31' ' ' TRP . 3.0 t -122.35 138.65 51.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -113.89 116.02 28.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.604 ' CE3' HG12 ' A' ' 29' ' ' VAL . 10.5 m-90 -100.19 99.82 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.37 129.59 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.08 129.62 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.235 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 22.2 p-10 -96.82 -49.3 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 109.357 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -162.13 -175.8 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 64.95 70.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -99.85 153.84 37.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.94 -167.96 6.06 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.135 -2.444 . . . . 10.0 110.945 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.1 m-70 -150.05 108.47 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.646 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -100.98 142.94 31.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 10.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.504 ' O ' ' CE1' ' A' ' 43' ' ' PHE . 9.5 mt -131.97 62.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 10.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.95 130.88 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.9 m-85 -100.57 156.2 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 111.043 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.436 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -120.68 156.11 32.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 10.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.6 65.78 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.61 76.86 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 10.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.58 -23.83 34.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 10.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 t -90.67 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.08 163.36 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.91 -53.66 9.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 10.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.11 -51.32 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 109.192 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -52.2 -53.01 48.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.3 -18.55 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -73.29 -41.5 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -36.2 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -84.71 -4.09 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 10.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.57 127.38 34.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.971 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 10.9 m170 -97.78 101.24 12.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 10.0 109.567 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -110.43 22.27 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 10.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 -44.8 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.626 1.204 . . . . 10.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.24 118.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -95.08 131.5 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 37' ' ' SER . 77.2 m-85 -104.06 -43.08 5.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.18 141.43 30.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 10.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.79 56.87 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 -42.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.526 1.141 . . . . 10.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.37 138.14 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 10.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.34 128.41 37.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 49.1 m-85 -76.98 175.91 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.6 m -145.35 144.31 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 p -145.52 126.36 14.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -83.73 137.11 33.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 10.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' HG11 ' A' ' 95' ' ' VAL . 2.9 m-85 -110.54 97.65 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 10.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -40.89 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 10.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -77.82 117.69 67.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 110.273 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 86.24 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.589 1.836 . . . . 10.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.86 -137.86 2.98 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.502 1.126 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -145.13 126.97 15.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 0.809 . . . . 10.0 110.374 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.522 ' CE2' HD21 ' A' ' 56' ' ' LEU . 55.2 m-85 -109.21 156.82 19.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 10.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 m -143.78 147.03 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.78 178.86 7.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -146.51 -168.69 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 10.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 10.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.506 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.482 0.182 . . . . 10.0 110.971 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.8 t -114.73 170.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 10.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.96 133.05 3.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 10.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 155.82 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 10.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -105.09 155.5 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 10.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.07 118.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.39 170.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' ILE . 22.5 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -86.93 147.83 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -147.01 158.77 44.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 77.2 t -145.28 134.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 10.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -85.5 49.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.445 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 34.1 mtt 35.13 -95.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 10.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -68.84 -145.32 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.361 1.038 . . . . 10.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 m -137.56 152.21 49.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 10.0 110.01 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -72.85 -29.46 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 10.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -86.66 46.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 10.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.59 54.76 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.53 1.144 . . . . 10.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.14 149.89 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 15' ' ' VAL . 5.0 mp -82.34 -49.63 9.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.9 m -39.86 142.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 10.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 61.7 m-85 -75.0 135.01 41.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 10.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -137.76 120.3 11.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 10.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.03 140.96 70.23 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 121.009 -2.496 . . . . 10.0 110.991 -0.028 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p -58.97 -49.21 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -108.38 142.54 38.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 10.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.29 138.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.92 138.66 31.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' A' ' 73' ' ' PHE . 8.6 tt -142.88 160.14 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.77 166.11 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 10.0 109.215 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.52 83.77 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 10.0 109.221 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 146.16 -18.72 1.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 10.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.69 -178.9 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.611 0.83 . . . . 10.0 110.272 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.41 170.08 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 10.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.59 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 7.2 t -130.26 135.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -111.96 127.57 55.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 8.6 m-90 -115.88 100.04 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 10.0 108.017 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 10.0 109.198 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -75.19 134.1 41.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 10.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 9' ' ' SER . 4.7 t-20 -115.67 -64.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 10.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.25 -149.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 10.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 50.19 69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.367 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.594 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -118.05 165.73 15.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 10.0 109.968 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 168.7 76.62 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.493 . . . . 10.0 110.979 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER 179.21 -177.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 109.571 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.486 ' OD1' ' CG2' ' A' ' 42' ' ' VAL . 20.9 p30 -173.2 -177.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 10.0 109.24 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.578 HG22 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -126.87 77.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.617 1.198 . . . . 10.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' OD1' ' A' ' 40' ' ' ASN . 89.4 t -86.19 128.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.1 m-85 -105.11 135.2 46.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 10.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.52 166.89 10.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 10.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.57 73.27 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -103.33 88.72 3.18 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.501 1.125 . . . . 10.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 -32.42 6.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 10.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 79' ' ' TYR . 8.5 t -88.0 168.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 10.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.16 162.98 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.73 -61.44 1.78 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 10.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -47.0 46.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -53.73 -66.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 10.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.16 -25.61 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.45 60.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -47.61 82.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD23 ' CD1' ' A' ' 73' ' ' PHE . 6.4 mp -68.55 -17.38 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.183 . . . . 10.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.4 t -82.34 132.88 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 10.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 17.6 m-70 -107.32 100.22 9.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 10.0 109.548 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -106.5 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 10.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.04 -31.59 5.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 10.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.77 141.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 10.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -124.39 167.84 13.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.408 1.068 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 28.4 m-85 -160.68 -51.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 10.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.35 130.17 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.05 95.31 0.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 10.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.34 -40.47 0.33 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.557 1.161 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -74.86 100.71 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 10.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.1 p -110.02 155.75 21.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 10.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 15.4 m-85 -112.64 172.83 6.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -145.04 148.14 33.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.461 1.101 . . . . 10.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 p -145.14 143.46 30.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.6 m -100.61 130.29 46.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD1' HD23 ' A' ' 56' ' ' LEU . 3.1 m-85 -101.9 98.46 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 10.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -94.8 -48.23 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 10.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 118.78 70.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 10.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 10.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.79 -145.98 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 10.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -134.0 127.33 32.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 10.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' HD21 ' A' ' 56' ' ' LEU . 66.5 m-85 -107.93 153.77 22.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -135.72 139.67 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CD1' HG22 ' A' ' 41' ' ' ILE . 7.5 p90 -141.68 170.34 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -177.68 160.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 1.079 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 10.0 108.334 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 1.079 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 2.9 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.502 0.192 . . . . 10.0 110.959 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 m -67.29 136.36 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.86 121.86 1.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 10.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -136.75 176.55 8.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 10.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 73' ' ' PHE . 1.5 t -126.65 153.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.2 t -134.02 113.52 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 10.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.0 t -75.86 154.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.21 161.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 10.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -145.01 150.08 36.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 10.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.91 125.85 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -80.18 120.8 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 10.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.2 mtm -62.06 105.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.056 . . . . 10.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.7 -141.31 15.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 13' ' ' ALA . 3.5 m -144.31 151.88 39.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 10.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -57.63 -56.16 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 10.0 109.389 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -47.77 -52.14 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.44 68.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 10.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 9' ' ' SER . . . -123.25 -174.33 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 10.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' CE ' ' A' ' 91' ' ' MET . 4.3 mm? -113.09 -52.31 2.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.6 m -40.09 139.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.656 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 17.5 m-85 -81.71 124.7 29.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 10.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -130.27 127.4 22.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 10.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.0 Cg_endo -75.0 137.38 50.01 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.016 -2.493 . . . . 10.0 110.949 0.012 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -61.69 -41.78 98.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 10.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.2 m -116.7 137.83 51.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 10.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 25.6 m -140.93 159.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 10.0 109.211 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.86 138.54 33.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.53 158.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.42 156.06 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.97 93.23 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.623 1.202 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 135.81 -28.81 2.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.52 -179.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 10.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.3 pt-20 -135.31 178.45 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 10.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.564 HG11 ' CE3' ' A' ' 31' ' ' TRP . 1.6 t -129.26 163.72 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.485 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 4.4 ttmt -130.78 113.99 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CE3' HG11 ' A' ' 29' ' ' VAL . 20.3 m-90 -99.03 99.67 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 10.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 143.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 62' ' ' ALA . 1.9 m120 -81.67 126.85 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 10.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' MET . 3.1 t30 -100.39 -56.66 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -177.4 -170.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 65.72 70.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 10.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 15.4 p -92.51 149.53 38.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 10.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 -167.35 5.56 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.072 -2.47 . . . . 10.0 110.959 0.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.73 111.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 10.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -113.97 152.37 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 10.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.43 70.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.76 129.11 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 10.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 4.8 m-85 -102.55 126.55 49.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 10.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.46 154.26 21.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 10.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.99 79.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -100.14 -65.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 10.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.82 8.89 61.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 79' ' ' TYR . 7.2 t -131.3 160.21 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.08 159.46 5.77 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.619 1.199 . . . . 10.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.74 -52.69 23.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 10.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ALA . 1.4 m-20 -55.38 -61.88 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 10.0 109.248 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.4 m -43.87 -52.54 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 10.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.72 -36.55 69.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 10.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -66.68 -19.12 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -41.52 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -82.23 -14.61 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.01 143.8 43.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.999 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.4 m-70 -114.1 99.24 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 10.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -98.0 40.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.18 -133.05 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 10.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.62 118.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 10.0 109.287 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.76 148.74 42.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 10.0 109.281 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 12.4 p90 -162.98 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.9 116.99 24.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.51 105.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.383 1.052 . . . . 10.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.64 -37.41 0.62 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.471 1.107 . . . . 10.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.5 100.18 10.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.375 0.691 . . . . 10.0 110.215 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 m -116.85 145.84 43.29 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 10.0 110.037 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -104.54 174.58 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 10.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -145.42 148.9 33.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 1.054 . . . . 10.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -142.95 138.45 30.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 10.0 110.01 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 2.5 m -107.94 125.71 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 10.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.711 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 9.3 m-85 -93.65 98.23 11.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 10.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -89.78 -22.21 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 10.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.24 123.66 41.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.387 1.73 . . . . 10.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.51 -151.54 5.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.568 1.167 . . . . 10.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 m -130.32 99.75 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 0.81 . . . . 10.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.711 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 72.9 m-85 -80.06 147.27 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.2 m -128.48 147.93 50.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.578 1.174 . . . . 10.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' PHE . 24.6 p90 -160.05 174.99 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.45 -169.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 108.314 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.656 ' CE ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 10.0 111.031 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 79.6 t 63.29 -103.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.454 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . 60.94 132.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.441 1.088 . . . . 10.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.37 162.7 34.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 0.707 . . . . 10.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 t -116.83 153.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 123.37 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.506 1.129 . . . . 10.0 109.247 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.487 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -95.0 158.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 10.0 109.268 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.434 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 2.1 p30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.19 119.84 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 10.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -118.43 155.02 31.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 110.417 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -138.38 152.6 25.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.65 1.219 . . . . 10.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -108.13 113.09 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 10.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.451 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 7.6 mtt -44.68 128.88 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 10.0 110.972 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.05 -136.1 28.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.9 159.38 43.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -53.31 -48.77 68.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 10.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -60.4 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 10.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.21 79.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 10.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.75 161.88 32.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CE ' ' A' ' 91' ' ' MET . 3.9 mm? -77.85 -55.01 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 m -58.72 121.38 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -74.67 153.65 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 10.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.3 mp0 -146.87 130.73 8.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 10.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 158.18 99.15 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.018 -2.492 . . . . 10.0 111.045 0.087 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -86.94 -29.59 21.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 10.0 110.063 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.0 m -125.2 128.8 48.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.433 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -130.68 160.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -89.41 144.54 25.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 10.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -145.61 158.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 10.0 109.267 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -103.96 156.32 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 10.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.86 101.68 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 10.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.21 -21.66 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 10.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.65 -179.53 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 10.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -131.82 176.04 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 10.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.567 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -131.49 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -125.49 125.59 43.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.239 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 17.4 m-90 -113.75 99.59 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -92.95 143.87 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 10.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -90.48 122.7 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 10.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -91.95 -66.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -174.71 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.0 mp 63.45 69.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 10.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -101.23 159.49 29.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 10.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.93 -171.23 9.08 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.072 -2.47 . . . . 10.0 111.056 -0.146 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.51 138.3 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 10.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' C ' ' CG1' ' A' ' 41' ' ' ILE . 9.2 t30 -127.45 170.92 12.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 4.2 mt -149.62 73.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 10.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 t -82.67 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' A' ' 41' ' ' ILE . 4.6 m-85 -105.52 125.96 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.43 164.68 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.331 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.6 75.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 10.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -98.14 94.56 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.554 1.159 . . . . 10.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.9 -35.91 3.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.43 1.081 . . . . 10.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.22 160.42 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 10.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 155.34 12.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 10.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.66 -55.23 8.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -54.42 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 10.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -51.73 -55.77 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.073 . . . . 10.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.91 -33.02 35.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.19 95.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 10.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -40.41 77.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 ' CE2' ' A' ' 79' ' ' TYR . 9.6 mt -81.97 -3.48 54.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.244 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 8.8 t -93.31 130.76 38.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 10.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 6.9 m-70 -95.33 100.91 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 10.0 109.564 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.74 -33.4 25.08 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.4 125.17 8.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.368 1.043 . . . . 10.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.12 154.26 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 10.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.53 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 10.0 109.393 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -124.28 -56.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 10.0 110.966 -179.862 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.63 126.48 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 10.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.18 86.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.1 -34.42 0.09 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 10.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.92 105.41 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.372 0.69 . . . . 10.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 p -108.5 148.6 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 10.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -99.44 172.48 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.103 . . . . 10.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 m -145.71 147.58 32.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 10.0 110.343 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 4.5 p -144.82 150.25 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 10.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 6.9 m -116.74 137.36 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 110.338 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 7.1 m-85 -107.36 98.06 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 10.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -44.85 17.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 10.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.44 124.1 73.98 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 10.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.43 1.753 . . . . 10.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.58 -152.88 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 10.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 104.79 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 10.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.7 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.4 m-85 -85.43 156.56 20.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 10.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.5 m -137.37 146.05 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 11.5 p90 -155.29 168.49 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.95 -148.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 10.0 108.342 -179.95 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.55 0.214 . . . . 10.0 111.014 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.7 m -102.57 123.45 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 10.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 16' ' ' PHE . . . -147.22 146.98 17.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.158 . . . . 10.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.66 43.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 10.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.14 153.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.26 122.81 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 10.0 109.375 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.8 t -96.09 99.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.305 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.185 . . . . 10.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.19 104.79 14.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 10.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -108.52 160.57 15.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 10.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 26.4 t -145.38 163.68 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 10.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.475 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -104.75 125.77 51.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 10.0 109.318 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 39' ' ' HIS . 5.5 mtm -61.2 -85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.26 166.9 54.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -109.89 151.16 27.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 10.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -43.85 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 10.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -59.03 -46.17 88.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.27 60.34 0.39 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.35 174.65 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 0.705 . . . . 10.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.96 52.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 10.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.94 144.61 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 10.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 63.5 m-85 -78.84 144.22 35.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -138.38 102.8 7.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 110.334 179.902 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.92 -179.99 28.54 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 10.0 111.085 -0.073 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p -102.96 -26.92 12.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 110.052 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -125.46 125.44 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 10.0 110.465 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' CG2' ' A' ' 5' ' ' VAL . 16.6 m -132.68 140.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 10.0 109.23 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -87.61 145.08 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 10.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD11 ' CG ' ' A' ' 73' ' ' PHE . 2.3 tt -145.58 156.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.2 mmtt -83.97 165.62 18.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 10.0 109.223 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.38 81.4 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.637 1.211 . . . . 10.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 153.5 -25.93 0.76 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.483 1.114 . . . . 10.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.44 -178.4 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 10.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 1.1 pm0 -124.85 178.77 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 10.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 2.7 t -133.67 140.88 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 10.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.82 124.32 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 10.0 109.237 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 8.8 m-90 -110.34 102.59 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 10.0 108.01 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.62 136.24 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 10.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 49.7 t-20 -87.04 101.32 13.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.58 -63.39 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.4 -170.57 1.9 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.56 1.162 . . . . 10.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 7.7 mp 67.44 65.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 10.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -96.04 160.32 30.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 10.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 -172.97 11.54 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.02 -2.492 . . . . 10.0 110.976 0.146 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 10.2 m-70 -145.04 155.73 43.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.578 1.173 . . . . 10.0 109.652 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.41 103.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 10.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.502 HD11 ' CE1' ' A' ' 58' ' ' HIS . 2.6 mt -87.68 86.81 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 10.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 t -84.42 131.41 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -106.86 124.63 49.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 10.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.22 158.46 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.01 75.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.91 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 10.0 109.296 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.51 13.09 64.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 10.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.13 167.19 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 10.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.37 166.48 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.62 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 10.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -53.96 -61.82 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -45.93 -52.04 12.28 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.464 1.103 . . . . 10.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -60.74 -30.43 69.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -57.8 -44.93 86.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD23 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -64.65 -27.84 69.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 10.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 43.1 t -75.31 128.79 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.024 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 9.1 m170 -77.72 102.13 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.53 33.4 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 10.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -120.61 -158.63 10.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 10.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.58 129.58 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -110.54 117.68 34.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 35.5 p90 -133.94 -45.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 10.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.2 118.48 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 10.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 169.54 -30.4 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 10.0 111.026 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -82.1 116.67 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 10.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.2 p -123.42 152.16 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 73.8 m-85 -97.59 173.33 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 10.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 m -146.02 146.41 30.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 10.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 p -145.15 142.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 10.0 110.046 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -99.02 134.11 42.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 10.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CG ' HD11 ' A' ' 23' ' ' ILE . 3.1 m-85 -105.58 97.91 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.5 -47.55 6.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 10.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.89 119.41 75.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 10.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 61.27 5.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 10.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.67 -144.72 6.77 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 10.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -136.96 116.2 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 0.751 . . . . 10.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.531 ' CD2' HD23 ' A' ' 56' ' ' LEU . 53.7 m-85 -95.85 150.74 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -135.99 150.1 49.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.515 1.134 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 3.6 p90 -150.04 167.71 25.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 2.9 p90 -170.56 127.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 10.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.58 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.6 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 10.0 108.232 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.58 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 57.9 ttp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.521 0.201 . . . . 10.0 110.98 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.486 ' CG2' ' C ' ' A' ' 91' ' ' MET . 1.7 t 76.64 -172.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.595 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 95.61 128.67 5.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.52 166.91 24.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.51 159.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.356 1.035 . . . . 10.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.2 t -139.06 115.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.457 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 4.4 t -77.65 140.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 10.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.0 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.56 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -145.06 113.51 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 10.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -123.77 150.28 44.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG2' HG11 ' A' ' 21' ' ' VAL . 72.7 t -145.33 121.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 10.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -70.36 114.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 10.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 33' ' ' ASN . 44.2 mtt -34.68 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.11 -134.97 6.7 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.467 1.104 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' HD22 ' A' ' 34' ' ' ASN . 4.3 m -128.73 126.03 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 10.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.21 -59.5 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 10.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -30.82 14.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.567 1.167 . . . . 10.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 113.54 86.98 1.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -167.38 141.03 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 10.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.96 81.11 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 10.0 109.238 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.22 174.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 10.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.619 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 14.1 p90 -145.04 109.9 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.37 141.19 16.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 10.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.08 134.89 37.96 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 10.0 111.019 0.041 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.419 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -51.88 -46.13 64.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.985 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -116.57 118.92 33.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 10.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.9 m -118.84 139.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 10.0 109.371 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.68 134.39 33.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.374 -179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 98' ' ' ASP . 4.8 tt -139.4 161.92 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.1 mttt -95.95 164.37 12.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.82 90.74 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 10.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.88 -14.36 4.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.552 1.157 . . . . 10.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.472 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -75.0 177.16 6.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 0.771 . . . . 10.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.12 165.41 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.592 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -125.92 161.5 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -139.55 126.94 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 10.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 13.6 m-90 -111.35 99.91 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -83.97 129.15 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.492 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 43.1 t30 -88.37 131.17 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 10.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' SER . 1.7 p30 -113.51 -34.3 5.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 10.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.05 -166.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 10.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 64.83 63.1 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.55 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -104.56 163.71 16.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 10.0 109.994 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.55 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.0 -60.47 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.914 -2.536 . . . . 10.0 111.015 -0.085 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.56 152.19 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 10.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.449 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 2.5 m120 -129.02 178.51 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 10.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.435 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.0 mt -130.64 59.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 10.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.74 138.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.21 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.3 m-85 -108.02 139.91 41.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.44 1.087 . . . . 10.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.96 144.37 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.31 77.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 10.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 -60.53 1.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 10.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.08 58.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 10.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -129.29 167.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 10.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.27 152.95 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.595 1.185 . . . . 10.0 109.362 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.6 m-20 -52.62 -56.53 14.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 10.0 109.195 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -50.77 -51.21 52.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 110.372 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.32 -19.48 63.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -69.99 -34.49 73.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.589 1.181 . . . . 10.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -24.67 29.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 10.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.62 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.2 -8.58 38.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 13.9 t -90.53 133.49 35.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 10.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.4 m-70 -111.58 99.64 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 10.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -43.79 3.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 109.226 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 126.75 153.4 8.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 10.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER 162.22 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 10.0 109.378 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.52 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 10.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 64' ' ' ALA . 32.3 p90 -138.12 -45.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 10.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 63' ' ' PHE . . . -92.2 112.04 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.63 156.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.27 9.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 10.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.81 117.46 16.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.471 0.747 . . . . 10.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.79 132.78 45.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.937 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.503 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.5 m-85 -89.84 174.32 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 10.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 90.6 m -145.1 151.55 38.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 10.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.41 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 13.4 t -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 10.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.5 m -110.75 117.74 34.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.8 m-85 -96.42 99.3 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 10.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.73 -49.98 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.99 131.69 59.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 10.0 110.393 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 10.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.83 -149.83 6.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.37 1.044 . . . . 10.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.46 102.92 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 10.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.767 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 61.4 m-85 -86.23 154.16 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 10.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.5 m -141.15 149.45 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 10.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 8.6 p90 -142.96 147.76 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.671 1.232 . . . . 10.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 83' ' ' CYS . 31.3 p90 -120.18 -7.65 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 111.057 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 1.3 t . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.352 1.032 . . . . 10.0 108.346 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.585 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.46 0.172 . . . . 10.0 110.984 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.619 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 26.6 m -121.44 120.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.403 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -117.02 169.78 13.2 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.465 1.103 . . . . 10.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.55 120.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.03 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 109.399 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.5 t -144.52 123.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 10.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.432 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 3.6 t -90.87 171.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 10.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.577 1.173 . . . . 10.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' ALA . 4.7 p-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -79.6 157.03 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 9.6 t -146.76 162.62 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.386 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -140.39 144.2 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.34 150.74 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.53 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 22.3 mtt -85.05 89.53 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 10.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.46 -140.43 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 10.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -142.38 144.81 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 10.0 110.038 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -55.6 18.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 10.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -45.6 38.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 10.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.3 84.3 0.76 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.564 1.165 . . . . 10.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.12 145.22 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 10.0 109.372 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' CA ' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -74.89 60.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.329 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.85 128.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.397 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 82.6 m-85 -76.24 120.78 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 10.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.1 tp10 -131.74 125.66 20.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 10.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.478 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.11 143.93 79.24 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.025 -2.489 . . . . 10.0 110.988 0.089 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -67.62 -47.24 70.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.87 136.85 47.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 10.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.8 m -143.01 136.6 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.66 142.72 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 10.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG2' ' HA ' ' A' ' 97' ' ' VAL . 0.7 OUTLIER -140.57 -179.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 179.17 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.64 82.79 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 143.44 -14.09 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.447 1.092 . . . . 10.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.16 -178.19 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 10.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 0.7 OUTLIER -129.25 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.247 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.611 ' CG1' ' CZ2' ' A' ' 31' ' ' TRP . 12.4 t -141.27 118.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 10.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 4' ' ' THR . 3.0 ttmt -96.92 139.42 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' ' CG1' ' A' ' 29' ' ' VAL . 6.7 m-90 -124.7 100.04 6.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.62 1.2 . . . . 10.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.33 142.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -83.62 118.22 23.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -97.63 -57.46 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.512 1.132 . . . . 10.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -172.15 -170.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 10.0 109.231 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.408 HD22 ' CA ' ' A' ' 14' ' ' LEU . 1.3 mp 68.28 70.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.359 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.67 161.3 46.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 10.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 164.09 89.2 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.968 -2.513 . . . . 10.0 110.998 0.077 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -176.96 148.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 10.0 109.658 -179.97 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.96 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.436 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mp -123.33 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 27.5 t -84.4 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 10.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -108.71 148.57 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 10.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.71 155.03 18.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.91 77.18 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 10.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.24 106.85 17.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.99 -39.94 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 10.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.1 t -85.22 168.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 0.757 . . . . 10.0 109.367 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.62 151.12 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -54.78 25.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -49.86 -49.86 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -51.41 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -53.84 -22.29 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -64.34 -50.2 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.633 1.208 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.42 76.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -82.96 -6.58 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.478 1.111 . . . . 10.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.4 t -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 10.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 5.2 m170 -82.53 103.1 11.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 10.0 109.627 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.39 -32.75 24.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.37 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.55 131.29 10.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 10.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -89.32 179.06 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 0.717 . . . . 10.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.43 157.87 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 10.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 22.6 m-85 -133.33 -47.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 10.0 111.029 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.3 136.84 36.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.41 77.9 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.82 -40.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 10.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.83 99.91 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.583 0.814 . . . . 10.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -111.56 138.16 48.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 10.0 110.015 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 57.4 m-85 -92.92 174.34 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -145.59 149.74 35.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.083 . . . . 10.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 p -145.42 129.59 17.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 10.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -90.21 128.8 36.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 10.0 110.357 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CD1' HD21 ' A' ' 56' ' ' LEU . 3.3 m-30 -96.4 99.66 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -96.63 -48.47 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 10.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.38 119.99 79.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.478 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -75.03 68.06 5.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 10.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.62 -138.55 5.22 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.481 1.113 . . . . 10.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.24 105.32 4.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 0.81 . . . . 10.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 56' ' ' LEU . 56.6 m-85 -88.88 147.64 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 10.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 m -142.67 150.07 39.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.185 . . . . 10.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 8.1 p90 -134.85 162.96 30.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -144.71 77.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' TYR . 53.1 t . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.398 1.061 . . . . 10.0 108.34 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.443 0.163 . . . . 10.0 111.02 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 77.9 t 54.08 -101.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . 61.4 119.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 10.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -144.86 159.05 43.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 10.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 73' ' ' PHE . 1.7 t -121.84 156.0 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 10.0 109.406 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.3 t -131.4 131.56 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 10.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.488 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 9.7 t -100.88 148.81 6.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.504 1.128 . . . . 10.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.297 -179.995 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.57 148.05 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 12.2 t -137.38 155.92 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 6' ' ' LYS . 20.0 t -143.18 138.18 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 10.0 109.211 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -99.07 110.96 23.48 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.533 1.146 . . . . 10.0 109.218 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 15' ' ' VAL . 10.0 mtt -35.79 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 10.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 177.17 51.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.401 1.063 . . . . 10.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -142.23 131.28 23.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.729 . . . . 10.0 110.041 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 60.0 12.68 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 35' ' ' LYS . 4.8 t 50.26 52.15 15.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.411 ' CA ' HD23 ' A' ' 36' ' ' LEU . . . -167.79 -44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 10.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.01 146.48 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 10.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -104.07 104.77 14.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 10.0 109.244 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' MET . 17.2 m -148.78 -170.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 16' ' ' PHE . 1.2 p90 -145.07 111.11 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 10.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -143.06 141.96 20.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 10.0 110.308 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.95 133.68 32.49 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.048 -2.48 . . . . 10.0 110.971 0.037 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 91.2 p -38.17 -53.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 10.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -114.47 150.89 34.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 10.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.5 m -140.37 161.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.05 138.35 41.39 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.543 1.152 . . . . 10.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.04 162.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 10.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 mmtt -111.95 158.12 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.232 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 101.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 10.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.73 -20.24 7.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 10.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -75.0 -179.07 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 10.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.26 172.31 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 2.3 t -130.93 162.39 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 10.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 5.3 ttmt -128.89 122.89 31.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.454 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 21.2 m-90 -108.24 99.81 9.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.965 -1.124 . . . . 10.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.88 144.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 10.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -86.01 136.91 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 10.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.66 -54.81 2.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 10.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 1.1 tttm -178.8 -170.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.432 1.083 . . . . 10.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 HD23 ' CA ' ' A' ' 12' ' ' GLY . 2.0 mm? 64.18 55.34 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 10.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.42 161.24 49.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 10.0 109.975 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.975 -2.51 . . . . 10.0 110.978 -0.014 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.27 130.08 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 109.645 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER -129.64 123.75 32.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 10.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -99.0 67.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 10.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.3 t -78.56 137.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 10.0 109.394 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 5.9 m-85 -110.96 134.12 52.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 10.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.36 163.86 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.489 1.118 . . . . 10.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.69 75.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 10.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.67 -81.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.71 86.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 10.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.77 158.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.04 166.82 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.192 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.55 -56.11 5.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 10.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.62 -54.77 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 m -51.73 -41.86 61.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 10.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -64.67 -33.37 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.79 64.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -33.8 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 10.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.556 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.32 -9.01 46.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 10.0 109.353 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 13.3 t -82.89 138.19 33.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 10.0 109.894 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.542 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.8 m-70 -100.09 99.93 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 10.0 109.633 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 38.17 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.91 -42.58 1.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 10.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt 80.82 135.34 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.63 135.4 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 10.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -118.06 -67.41 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 10.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 162.18 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.61 1.193 . . . . 10.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.16 92.66 6.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 10.0 109.376 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.5 -32.48 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 10.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.16 124.1 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 10.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -123.8 161.85 24.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 35.4 m-85 -117.65 174.05 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 10.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.2 m -145.78 149.46 34.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 10.0 110.418 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.34 130.11 18.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 10.0 109.99 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.8 m -99.36 116.59 31.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 10.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.746 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -81.65 99.07 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -17.32 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -110.66 123.71 34.94 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 10.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.94 -152.22 5.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 10.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m -127.58 100.72 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.746 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 68.2 m-85 -81.32 138.35 35.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 10.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 m -120.12 139.73 52.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 10.0 110.479 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -139.46 153.77 47.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -161.25 166.32 27.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 10.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 108.342 179.964 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -108.94 -20.29 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 10.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -38.34 142.1 0.37 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.645 1.215 . . . . 10.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.76 170.6 15.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 10.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.93 162.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.91 122.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.319 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.504 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -109.84 110.09 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 10.0 109.227 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.37 179.918 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.57 119.65 38.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -115.2 150.05 36.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.703 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 49.1 t -132.96 152.17 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -96.86 96.65 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.468 ' CB ' ' HE1' ' A' ' 91' ' ' MET . 11.4 mtt -34.47 -49.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 10.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.18 173.07 14.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -94.96 140.95 29.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.783 . . . . 10.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.6 -46.05 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -52.22 -70.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.073 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 58.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.9 -175.63 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 10.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.23 64.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 10.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.6 m -121.32 137.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 71.3 t80 -92.26 106.23 18.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 10.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tp10 -126.15 137.03 29.39 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.06 141.08 70.65 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.996 0.025 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 t -42.07 -50.03 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.984 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.3 m -119.69 125.35 48.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 10.0 110.375 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 m -119.5 141.98 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.95 132.85 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.181 . . . . 10.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -128.19 164.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 10.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 22.1 mtmt -109.6 156.34 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.85 93.18 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 134.41 -27.3 3.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 10.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 76.9 mm-40 -73.95 -179.56 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 10.0 110.367 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 27' ' ' GLU . 1.1 pm0 -134.5 175.65 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.542 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.0 t -132.3 132.11 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -95.29 130.62 41.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 15.4 m-90 -114.8 100.23 8.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 10.0 107.988 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -87.7 137.57 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -86.37 100.43 12.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.64 -71.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 10.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -170.29 -172.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 10.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 65.13 65.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.494 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -81.52 161.51 61.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 10.0 109.974 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.96 -172.97 11.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.501 . . . . 10.0 110.983 -0.016 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -151.61 114.27 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.561 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -119.07 142.45 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 10.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 HG23 ' CE1' ' A' ' 43' ' ' PHE . 8.0 mt -126.11 71.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.06 137.24 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.237 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.53 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 6.2 m-85 -108.46 127.09 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 10.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.44 175.24 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.95 70.49 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 10.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.99 70.17 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -20.12 41.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.0 t -101.32 152.2 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 10.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.21 149.32 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.78 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -58.0 3.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 10.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.5 m -50.64 -37.92 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 110.395 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -66.89 -31.04 71.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.72 -20.79 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -38.24 17.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 10.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -88.61 -9.74 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.3 t -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 10.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 13.2 m-70 -103.89 99.47 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 10.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.04 34.0 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.24 -147.01 15.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 10.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.52 119.7 1.23 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 0.77 . . . . 10.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.92 129.39 44.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 10.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -123.11 -70.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.11 142.27 39.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.12 80.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.34 -38.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 10.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.48 102.17 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 10.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 p -111.39 149.03 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 10.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.9 m-85 -100.78 170.07 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -146.63 141.48 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.4 p -137.62 127.52 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 110.038 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 27.5 m -95.2 132.41 40.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 10.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.8 m-85 -100.0 98.36 9.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -42.01 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.62 125.09 60.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 89.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.83 -142.8 4.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 10.0 111.069 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -137.85 106.49 5.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 0.766 . . . . 10.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.718 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 77.4 m-85 -90.51 138.97 31.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 10.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.7 m -126.9 145.07 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' A' ' 16' ' ' PHE . 9.9 p90 -146.19 -179.52 6.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 10.0 110.975 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 5.2 p90 -164.28 140.12 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 108.312 179.97 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.468 ' HE1' ' CB ' ' A' ' 7' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.475 0.179 . . . . 10.0 110.975 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 93' ' ' GLY . 2.9 p 44.11 -165.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.467 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 107.38 139.77 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 10.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 156.1 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.11 152.13 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.88 121.67 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 10.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.69 135.63 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 109.364 179.923 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.34 163.1 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 14.8 t -144.35 166.84 23.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 10.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -144.79 156.59 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 10.0 109.356 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.99 132.22 56.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -75.2 86.89 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 111.02 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 178.14 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 10.0 111.061 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.51 159.99 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 10.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -54.24 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -61.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.382 1.052 . . . . 10.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.88 47.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 10.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 151.3 41.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.344 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 pp -82.99 91.59 7.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 15.1 m -157.95 127.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 36.9 m-85 -80.19 117.93 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.1 tp10 -135.86 131.77 19.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 10.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 134.08 34.3 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 10.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.418 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 70.1 p -53.83 -53.75 48.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 110.052 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -104.08 140.18 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 110.454 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.4 m -143.55 162.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.38 142.69 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -145.51 159.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 10.0 109.307 179.915 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.4 166.89 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 10.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.99 134.43 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 10.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.66 -19.2 34.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.558 1.161 . . . . 10.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' CB ' HD13 ' A' ' 23' ' ' ILE . 4.3 mm-40 -74.99 -179.25 4.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 10.0 110.262 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -138.57 170.78 15.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.589 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -128.87 162.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.7 ttmm -126.18 131.68 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.589 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 24.1 m-90 -118.53 99.74 7.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' HD3' ' A' ' 30' ' ' LYS . 54.1 t -93.01 139.78 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -84.06 138.63 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.399 1.062 . . . . 10.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -108.93 -61.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 10.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 -177.67 3.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.2 mp 75.63 70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 58.6 p -96.54 151.27 37.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.6 Cg_endo -74.94 -173.7 12.76 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.023 -2.491 . . . . 10.0 110.99 -0.011 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -155.33 148.62 24.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 10.0 109.669 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 14.1 t-20 -146.54 154.87 42.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 10.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.493 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.9 mt -131.51 61.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 10.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 54.5 t -74.83 134.82 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 4.9 m-85 -104.4 142.45 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 10.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.31 152.81 20.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 10.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.29 76.76 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 10.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -105.27 98.88 8.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 10.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.32 -20.93 27.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 10.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.94 154.21 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.754 . . . . 10.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.02 156.13 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.7 -49.79 19.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -51.68 -64.21 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 10.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -43.42 -58.44 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.16 -37.98 56.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -53.77 -52.88 58.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -45.61 89.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -70.11 -12.53 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 10.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -80.01 121.91 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 10.0 109.906 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 12.5 m170 -74.43 103.15 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 10.0 109.664 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 40.08 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 10.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.79 -36.65 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 10.0 111.039 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD11 ' ND2' ' A' ' 40' ' ' ASN . 0.1 OUTLIER 72.45 124.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 10.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.479 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -126.16 129.43 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 10.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.5 p90 -132.69 -43.52 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 10.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 113.64 18.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.0 109.273 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.45 126.23 9.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.42 -44.55 1.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 10.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.87 121.28 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 0.807 . . . . 10.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -130.48 135.08 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.592 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 62.4 m-85 -98.59 175.98 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 88.1 m -145.58 152.31 39.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 10.0 110.395 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 16.5 m -130.36 164.1 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 10.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 m -133.0 123.05 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 10.0 110.455 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -103.37 98.54 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -76.8 -52.85 8.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 10.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.93 132.5 37.98 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 98.31 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 10.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.06 -139.49 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 m -145.42 102.12 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 10.0 110.448 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 43.0 m-85 -85.61 157.27 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.2 m -134.57 145.79 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 10.0 110.369 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 7.4 p90 -147.04 167.96 22.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 10.0 111.024 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 6.7 p90 -163.15 -164.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 10.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 10.0 108.275 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.558 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 2.1 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.568 0.223 . . . . 10.0 111.02 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 93' ' ' GLY . 78.4 t -81.91 -90.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 59.93 125.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.585 1.178 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -136.86 156.55 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 10.0 109.197 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HB ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -104.21 146.87 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.24 132.77 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.233 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.5 t -103.86 169.6 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 10.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.302 -179.99 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.467 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 2.0 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.77 150.85 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 145.89 45.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 10.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.684 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 12.1 t -137.78 128.62 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 10.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 144.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.646 1.216 . . . . 10.0 109.242 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.582 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.92 75.4 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 10.0 110.982 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.83 -140.26 11.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 10.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -144.73 151.02 38.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 10.0 110.063 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -45.14 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 10.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -60.45 -63.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 10.0 109.986 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 10.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 -173.42 2.47 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 0.752 . . . . 10.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -114.14 -48.3 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -44.69 134.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.684 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -75.35 139.95 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -144.72 127.65 8.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 134.02 34.06 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.066 -2.473 . . . . 10.0 110.997 -0.064 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 10.0 110.07 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -107.98 140.26 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 10.6 m -138.01 150.17 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.87 143.25 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.572 1.17 . . . . 10.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.497 ' CG2' HG23 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -138.78 152.88 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.204 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' N ' HD11 ' A' ' 23' ' ' ILE . 5.2 mttt -105.14 141.11 37.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 124.75 -16.99 7.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 10.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CB ' HD12 ' A' ' 23' ' ' ILE . 1.1 mm-40 -75.32 -179.76 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 10.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.51 171.79 10.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 10.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 3.9 t -141.55 135.29 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -104.89 131.68 52.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 10.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 14.7 m-90 -116.97 99.2 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.99 147.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 10.0 109.209 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -84.09 125.8 32.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.31 -62.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 10.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.1 OUTLIER 179.95 -172.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 10.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.0 mp 66.01 45.05 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 10.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.97 162.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.056 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.89 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.028 -2.488 . . . . 10.0 111.028 -0.162 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 1.7 m-70 69.38 100.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.589 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 2.9 m120 -106.02 171.09 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.44 HG21 ' CE1' ' A' ' 43' ' ' PHE . 2.1 mt -125.97 57.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.349 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.09 135.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 10.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 8.4 m-85 -109.64 135.47 50.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 10.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.99 152.64 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 10.0 109.206 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.58 72.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 10.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.86 101.44 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.345 1.028 . . . . 10.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -40.85 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 10.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -83.42 165.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 10.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.21 156.84 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.199 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.82 -56.5 5.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 10.0 109.237 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -59.94 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 10.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -48.53 -50.45 31.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 10.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -59.34 -29.44 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.307 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.7 67.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -71.76 -11.26 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t -86.62 135.34 33.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 10.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 35.3 m-70 -109.32 100.1 9.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 10.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -94.3 39.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 10.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -121.1 139.23 13.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.449 1.093 . . . . 10.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.46 130.52 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.261 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.87 155.33 19.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 10.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 23.6 m-85 -156.71 -51.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 10.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -74.54 121.22 21.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.51 74.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . -171.94 -39.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 10.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.31 99.9 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 10.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.9 p -109.34 150.6 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 10.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -107.63 174.45 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 10.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.1 m -145.33 152.92 40.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 10.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 p -144.5 -179.92 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 10.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.5 m -146.56 144.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 10.0 110.354 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -115.1 98.42 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 10.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 -46.88 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 10.0 110.427 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 126.44 68.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 10.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 84.4 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 10.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.49 -144.12 4.68 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 10.0 110.967 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -138.91 109.96 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 10.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.761 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 52.5 m-85 -90.94 160.93 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.4 m -141.96 150.3 41.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 10.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.402 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 24.2 p90 -144.62 157.78 44.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 10.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 2.0 p90 -167.41 117.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 35.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 108.254 -179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 38.5 ttp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.505 0.193 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 t 71.98 169.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.402 ' C ' ' CZ ' ' A' ' 81' ' ' TYR . . . 119.19 121.66 3.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 10.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -144.91 164.35 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 10.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.19 157.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.48 127.78 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 10.0 109.426 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.497 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.4 t -94.97 118.15 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.098 . . . . 10.0 109.293 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -142.6 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.76 138.64 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 10.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 5' ' ' VAL . 12.5 t -137.36 147.5 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 10.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.44 ' CG2' HG13 ' A' ' 21' ' ' VAL . 24.9 t -140.66 123.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 129.67 34.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.566 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 14.8 mtt -70.99 77.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 10.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.82 169.2 20.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 10.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -100.57 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 10.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -59.09 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -39.48 -50.65 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 10.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.89 59.04 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 165.01 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -63.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.9 m -40.48 144.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CZ ' ' CE ' ' A' ' 91' ' ' MET . 20.7 m-85 -86.48 149.08 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.2 143.1 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.05 134.28 35.22 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 10.0 110.979 0.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.3 m -38.42 -51.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -114.94 138.23 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.44 HG13 ' CG2' ' A' ' 5' ' ' VAL . 3.8 m -136.52 136.27 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.63 138.74 39.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.16 161.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.4 mmtp -107.03 151.45 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 10.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.27 93.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.6 -17.67 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 10.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 47.9 mm-40 -74.71 176.28 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.85 163.67 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 10.0 110.296 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.0 t -125.75 160.42 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 10.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.8 ttpt -135.63 124.42 23.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.578 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 12.6 m-90 -109.59 99.51 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 10.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 33' ' ' ASN . 76.1 t -80.3 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 10.0 109.343 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' HG13 ' A' ' 32' ' ' VAL . 6.7 t-20 -79.8 120.33 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 10.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.03 -57.44 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -177.4 -164.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 10.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 65.56 70.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.517 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.83 162.69 39.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 10.0 109.98 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.517 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.03 168.9 76.06 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.001 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -178.72 166.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.55 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -152.03 175.42 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -118.76 96.51 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.56 131.25 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.0 m-85 -108.48 137.44 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.08 153.08 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.35 79.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.98 -73.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.71 15.26 60.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.131 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 79' ' ' TYR . 57.5 t -133.0 166.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.36 157.76 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.57 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -40.85 -51.2 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 m -50.38 -67.66 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -43.42 -44.23 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -40.29 -67.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.11 -55.24 8.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 10.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -53.74 -26.04 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 p -78.14 122.7 25.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 10.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.482 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 42.1 m-70 -93.88 100.63 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 109.646 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 36.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.61 -136.73 9.43 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -175.35 107.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 10.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -95.79 128.53 42.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 44.0 m-85 -123.15 -55.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.73 151.04 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 74.69 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.73 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 10.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -75.23 108.0 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.55 131.79 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 30.0 m-85 -83.7 179.29 7.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 10.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 69.4 m -144.36 151.4 39.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 10.0 110.415 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.578 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.7 t -136.86 166.27 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.5 m -139.98 122.31 16.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.1 m-85 -100.93 98.85 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.63 -55.7 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 10.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 131.6 72.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 10.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.22 -144.74 4.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 10.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.8 m -143.36 102.08 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 10.0 110.41 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.632 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 61.7 m-85 -84.33 148.07 26.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.1 m -132.29 153.65 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -148.2 158.2 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.4 p90 -150.57 136.56 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.432 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -71.18 116.79 11.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 108.306 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.0 mt-10 -77.59 -51.69 1.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 10.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -88.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 10.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.645 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 0.8 OUTLIER 52.09 -164.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 10.0 109.643 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -160.86 55.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 10.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.27 -102.08 0.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.485 1.116 . . . . 10.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.73 74.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 38.95 -155.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 10.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.959 ' HE3' 'CU ' ' A' ' 99' ' ' ' CU' . 44.0 mtm -155.04 153.47 31.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.4 m -118.84 130.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.64 138.37 2.44 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 10.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -142.82 172.62 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.77 . . . . 10.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.1 t -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.1 t -145.97 133.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.417 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.4 t -104.74 147.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 10.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . 0.959 'CU ' ' HE3' ' A' ' 91' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -75.2 141.02 43.65 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 10.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -120.3 137.74 54.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 t -145.12 149.1 34.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.466 ' CG2' HG12 ' A' ' 21' ' ' VAL . 47.1 t -140.71 140.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.217 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -97.33 120.42 37.65 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.411 1.069 . . . . 10.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.501 ' SD ' ' CG1' ' A' ' 41' ' ' ILE . 71.6 mtm -70.02 79.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 10.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.55 -159.62 18.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 10.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.486 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 6.1 m -136.62 149.68 48.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 10.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -54.31 -59.04 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.11 -59.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 10.0 110.017 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.57 74.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.9 162.6 39.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 0.794 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -97.07 78.26 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 10.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.486 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 33.2 m -131.88 168.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 2.8 p90 -131.52 111.96 12.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 10.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.5 mt-10 -139.05 140.89 28.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.04 . . . . 10.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.14 134.37 35.6 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.996 -2.502 . . . . 10.0 111.006 0.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 3.3 t -38.53 -53.04 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 10.0 109.949 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -118.26 146.49 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 110.393 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 HG12 ' CG2' ' A' ' 5' ' ' VAL . 25.4 m -136.35 147.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 10.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.85 141.66 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 10.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.563 HG23 ' CD2' ' A' ' 73' ' ' PHE . 6.7 tt -145.3 157.83 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -93.44 171.63 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 10.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.71 85.97 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.097 . . . . 10.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 139.62 -11.64 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 10.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.84 -179.21 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 10.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -128.25 161.71 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 10.0 110.343 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.7 t -119.95 157.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.394 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 123.84 30.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.591 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.3 m-90 -112.98 99.87 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.8 135.19 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -80.66 112.48 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -77.32 -66.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 10.0 109.221 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.96 -166.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 65.74 61.01 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -84.4 160.92 55.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.491 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.07 174.23 53.82 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.966 -2.514 . . . . 10.0 111.055 0.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.61 146.63 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 10.0 109.609 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.437 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 11.9 t-20 -145.48 145.69 31.18 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.577 1.173 . . . . 10.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.501 ' CG1' ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.97 68.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.377 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -81.78 145.54 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.0 m-85 -120.8 128.09 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 10.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.02 146.55 28.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.397 1.061 . . . . 10.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.03 82.16 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 10.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.42 -65.47 0.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.495 1.122 . . . . 10.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.13 22.92 37.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG13 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -138.73 165.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.23 -179.38 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -62.22 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 10.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.7 -50.18 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 10.0 109.272 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.5 m -54.92 -66.62 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 10.0 110.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -47.2 -31.3 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.42 -55.84 28.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -52.77 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD21 ' CE1' ' A' ' 73' ' ' PHE . 7.7 mp -64.63 -17.69 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 10.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.2 t -84.7 128.18 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.474 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.5 m-70 -102.5 101.16 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -40.24 40.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 10.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.64 121.13 19.12 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.605 1.191 . . . . 10.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' CD2' ' HB2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -79.74 151.05 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.729 . . . . 10.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.52 153.59 18.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 10.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -141.41 -60.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.92 128.35 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 10.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 86.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 10.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.13 -33.73 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 10.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.56 100.02 9.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 10.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 p -106.76 153.59 22.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 10.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.6 m-85 -106.59 173.29 6.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 10.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.0 m -144.38 150.92 38.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -139.73 165.99 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 10.0 109.969 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 m -123.14 130.36 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 10.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' CE1' HD21 ' A' ' 56' ' ' LEU . 3.3 m-85 -104.03 98.24 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 10.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -93.39 -42.97 8.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 120.49 81.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.43 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 64.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.28 -141.45 5.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 10.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.1 m -140.56 117.6 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 10.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 56' ' ' LEU . 60.2 m-85 -99.38 156.48 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.5 m -131.84 148.39 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 10.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -153.34 169.12 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -177.59 177.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 10.0 110.97 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.495 ' CB ' ' HB2' ' A' ' 86' ' ' HIS . 35.9 m -97.19 123.08 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -79.4 -50.1 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 10.0 110.409 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 17.9 Cg_endo -74.97 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 10.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.495 ' HB2' ' CB ' ' A' ' 83' ' ' CYS . 2.5 t60 -49.45 134.58 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.654 1.221 . . . . 10.0 109.616 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -119.83 79.77 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 10.0 110.348 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -172.72 -105.84 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 10.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 172.94 88.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 10.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.62 -152.84 23.27 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.416 1.073 . . . . 10.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.85 90.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 10.0 110.954 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.1 m -137.8 -58.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.421 ' CA ' ' CD2' ' A' ' 16' ' ' PHE . . . 58.71 156.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.505 1.128 . . . . 10.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.2 156.32 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 109.282 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.481 HG13 ' CE2' ' A' ' 73' ' ' PHE . 2.2 t -119.7 157.42 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 10.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.0 t -136.98 117.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.594 1.184 . . . . 10.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 8.9 t -75.15 160.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 10.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 35.9 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -76.04 144.22 40.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 10.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.37 127.46 35.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 t -117.77 148.32 42.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 10.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 5.5 t -135.6 129.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 10.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.06 137.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.582 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 46.5 mtt -73.43 101.65 3.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 10.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.75 -140.56 15.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.579 1.174 . . . . 10.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -143.81 154.91 43.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 10.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.93 -53.94 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 10.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -58.38 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 10.0 109.947 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.41 80.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 10.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.07 165.58 25.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.386 0.698 . . . . 10.0 109.215 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HB3' ' CD2' ' A' ' 86' ' ' HIS . 1.5 mm? -92.19 -56.47 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 10.0 109.3 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.0 m -40.35 139.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 10.0 109.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 2.6 m-85 -77.61 141.03 39.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 10.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.0 tt0 -140.5 130.82 13.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.463 1.102 . . . . 10.0 110.371 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.96 133.42 31.32 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.017 -2.493 . . . . 10.0 111.009 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -49.01 -52.92 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -104.97 143.56 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.2 m -145.08 171.84 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 10.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.55 138.55 50.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 98' ' ' ASP . 1.4 tt -145.44 152.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.0 mttm -90.47 160.47 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.77 109.26 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 -17.75 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -74.28 179.65 4.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 10.0 110.239 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -126.75 173.61 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 10.0 110.286 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.501 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.2 t -130.84 163.47 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 10.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 9.4 ttmt -133.19 130.38 39.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 5.8 m-90 -120.6 102.26 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -89.72 132.71 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -77.05 131.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -112.47 -67.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.087 . . . . 10.0 109.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -166.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' CG ' HD11 ' A' ' 14' ' ' LEU . 4.5 mm? 63.93 68.76 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 10.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -125.0 161.26 50.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 10.0 109.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 171.44 68.11 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.998 -2.501 . . . . 10.0 110.967 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 2.9 p80 -176.6 132.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 10.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.4 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 3.9 m-20 -105.74 177.28 4.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.7 mt -134.0 66.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 t -79.67 130.51 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -101.22 130.89 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 10.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 82' ' ' TYR . . . -81.74 148.45 28.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.25 79.9 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.589 1.181 . . . . 10.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.99 -74.04 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.15 4.2 85.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 10.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.0 t -120.54 164.08 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.45 0.735 . . . . 10.0 109.341 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -68.89 165.89 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.77 -70.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.267 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.36 -55.9 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -49.15 -61.0 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 10.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.23 -22.14 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 10.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -69.88 -29.71 66.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -88.35 -22.76 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 1.057 . . . . 10.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.597 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.94 -10.74 30.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.387 1.054 . . . . 10.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 43' ' ' PHE . 2.0 t -88.57 140.65 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.1 m-70 -113.29 99.33 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.52 -37.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 109.198 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 116.4 131.99 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 10.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.97 34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 10.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' C ' ' CG ' ' A' ' 63' ' ' PHE . . . -106.41 136.66 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 10.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.468 ' CG ' ' C ' ' A' ' 62' ' ' ALA . 36.0 m-85 -158.61 -49.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 136.61 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.79 84.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.91 -36.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 10.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.69 133.33 37.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 10.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -129.11 146.3 51.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 10.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.44 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.1 m-85 -100.98 168.58 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 29.4 m -145.01 149.76 35.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 110.386 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.9 t -141.09 141.27 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 110.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m -115.45 108.72 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 10.0 110.401 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.743 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.5 m-85 -84.34 99.65 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 10.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -79.37 -47.32 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 10.0 110.311 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.82 127.24 58.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 10.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.87 88.7 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 10.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.08 -141.58 4.2 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -141.99 100.57 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.743 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 55.9 m-85 -82.65 151.34 26.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.0 m -131.14 144.38 51.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.497 1.123 . . . . 10.0 110.384 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 12.8 p90 -150.62 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CE2' ' HB1' ' A' ' 44' ' ' ALA . 1.2 p90 -160.29 -177.85 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 10.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -123.72 94.94 4.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.581 1.175 . . . . 10.0 108.277 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -52.09 -52.11 65.18 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 10.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.96 -86.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.572 1.828 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.547 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 66.15 -167.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.598 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.27 -46.63 32.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.421 1.075 . . . . 10.0 110.316 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 145.94 53.93 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.515 1.134 . . . . 10.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.09 -76.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 10.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.02 162.01 12.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 10.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.547 ' HE1' ' CD2' ' A' ' 16' ' ' PHE . 3.9 ttt -146.73 108.74 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 10.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.2 m -110.53 153.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.94 134.86 1.95 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.597 1.185 . . . . 10.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -135.99 164.83 27.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.567 0.804 . . . . 10.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.33 153.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 10.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.83 118.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.64 160.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ILE . 2.6 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 10.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -114.68 152.98 31.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 10.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.25 136.11 43.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 10.0 109.38 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 8.8 t -126.99 145.61 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.89 142.38 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 10.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -96.44 104.55 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.551 1.157 . . . . 10.0 109.365 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.52 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -36.92 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 10.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' CA ' ' HB3' ' A' ' 34' ' ' ASN . . . -92.02 -150.59 26.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 10.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.457 ' C ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -144.65 163.97 32.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 109.972 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -40.95 96.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' GLY . 23.3 m -88.4 42.42 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 10.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 37.33 53.98 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.13 121.59 45.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 10.0 109.327 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 89' ' ' ALA . 1.9 pp -75.16 58.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.86 134.21 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 10.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.584 ' CE2' ' HA2' ' A' ' 93' ' ' GLY . 45.9 p90 -97.77 108.79 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.99 141.24 38.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 139.66 62.96 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.04 -2.483 . . . . 10.0 111.046 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.574 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 16.6 p -36.6 -48.19 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 10.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -122.44 151.15 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 10.0 110.353 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -138.2 144.21 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 10.0 109.328 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -86.49 143.73 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 110.42 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG21 ' CG1' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.38 171.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' C ' ' CG1' ' A' ' 97' ' ' VAL . 10.5 mmtt -117.28 145.57 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.375 1.047 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 97' ' ' VAL . . . -62.4 100.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 10.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 121.29 -15.45 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 10.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -74.89 -179.55 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.55 162.13 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 10.0 110.237 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG13 ' CH2' ' A' ' 31' ' ' TRP . 7.1 t -130.3 133.29 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.85 129.66 53.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 10.0 109.35 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CH2' HG13 ' A' ' 29' ' ' VAL . 7.1 m-90 -116.13 99.28 7.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.048 -1.094 . . . . 10.0 108.048 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.54 135.84 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -78.34 99.72 6.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.61 1.194 . . . . 10.0 109.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -68.98 -60.03 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -174.78 -166.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.34 70.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 10.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.5 m -95.85 160.23 30.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 109.964 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 -60.25 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.961 -2.516 . . . . 10.0 110.963 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 0.0 OUTLIER 60.48 145.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 10.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.22 175.66 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.444 HD11 ' CE ' ' A' ' 7' ' ' MET . 3.1 mt -123.24 83.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -86.0 132.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 10.0 109.354 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.47 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 4.9 m-85 -105.61 133.49 50.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 10.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.74 160.1 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 10.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.78 78.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.48 -68.26 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.31 12.09 61.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 10.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -127.65 158.8 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 10.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.99 174.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.07 -70.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 10.0 109.373 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.36 -49.72 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -50.24 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 10.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -47.55 -58.0 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -38.67 -52.3 1.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 10.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -52.94 62.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.6 1.187 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.722 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -67.79 -9.61 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 p -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 10.0 110.026 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.9 m-70 -82.88 102.2 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 10.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -92.15 27.97 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 10.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 150.42 16.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.601 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mp -109.54 123.27 49.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 10.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -84.2 160.54 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 10.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' LEU . 28.4 m-85 -144.32 -47.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.26 33.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 10.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.01 51.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.22 -38.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.59 141.58 48.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 10.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 p -136.38 149.03 48.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 10.0 110.068 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -101.34 172.28 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.37 1.044 . . . . 10.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.9 m -145.73 151.74 38.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.385 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.8 p -145.2 179.97 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 10.0 109.969 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.4 m -144.7 140.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 10.0 110.408 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -112.94 98.1 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 10.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -83.42 -25.45 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -99.5 122.4 51.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 10.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 80.32 2.47 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.542 1.811 . . . . 10.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.27 -140.12 3.78 Favored Glycine 0 CA--C 1.528 0.864 0 O-C-N 124.541 1.15 . . . . 10.0 111.026 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.0 m -140.61 111.47 6.99 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.398 0.705 . . . . 10.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 25.9 m-85 -88.8 160.16 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -142.85 152.55 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 29.0 p90 -148.58 154.94 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -144.48 125.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -66.48 115.32 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -75.88 -55.65 1.87 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.475 1.109 . . . . 10.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 58.27 4.89 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.486 1.782 . . . . 10.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -142.58 77.98 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -49.77 111.27 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 10.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.54 85.61 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 14' ' ' LEU . . . -125.39 -55.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.39 0.7 . . . . 10.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.66 52.55 1.03 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.535 1.147 . . . . 10.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.571 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 96.1 mtp -117.19 136.56 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 10.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.537 ' O ' ' CE2' ' A' ' 81' ' ' TYR . 92.2 t -151.21 -76.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.06 . . . . 10.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.72 150.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 10.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 161.76 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 10.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 10.7 t -118.52 158.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 10.0 109.3 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 87.0 t -139.66 132.45 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 25' ' ' ALA . 2.0 t -110.24 116.08 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.359 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -78.88 141.86 37.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 10.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.56 160.36 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 10.0 109.418 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -140.56 148.85 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 37.3 t -137.28 145.74 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.645 1.216 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 145.83 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 10.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.54 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 23.6 mtt -75.04 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 10.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 160.12 21.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 10.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -81.1 141.81 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 10.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -46.52 -47.15 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 10.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.2 t -48.37 -46.6 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 10.0 110.1 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.63 92.6 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 10.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.76 171.94 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 10.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.97 53.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 10.0 109.268 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.25 127.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 10.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 37.6 m-85 -81.25 114.24 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -123.49 141.08 35.41 Favored Pre-proline 0 N--CA 1.45 -0.456 0 O-C-N 124.442 1.088 . . . . 10.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 134.82 37.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.954 -2.519 . . . . 10.0 110.991 0.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.409 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 p -56.37 -48.31 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.934 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -104.84 136.69 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.079 . . . . 10.0 110.393 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 26.9 m -145.44 141.52 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 10.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.33 155.97 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 10.0 109.437 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -103.03 143.19 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.548 1.155 . . . . 10.0 109.332 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 102.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 10.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.12 -14.55 9.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 10.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -179.64 7.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 10.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -121.53 164.29 17.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 10.0 110.321 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG2' HG13 ' A' ' 23' ' ' ILE . 2.3 t -133.52 129.87 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 129.07 53.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 10.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 4.5 m-90 -113.95 99.49 7.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 10.0 108.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.12 148.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -85.81 145.65 27.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.99 -68.81 0.89 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.105 . . . . 10.0 109.235 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -177.51 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.55 68.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 10.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 24.9 p -96.02 151.6 38.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.97 -169.01 6.95 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.068 -2.472 . . . . 10.0 110.977 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.91 118.29 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.585 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.7 OUTLIER -116.58 137.96 51.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.36 1.038 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.513 HG21 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -123.54 76.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.9 t -83.12 129.21 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.3 m-85 -102.8 127.51 49.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 10.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 162.82 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.625 1.203 . . . . 10.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.59 73.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 109.325 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.0 -83.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.75 63.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 10.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.3 t -121.38 169.73 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 10.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.53 167.76 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 10.0 109.24 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 -46.87 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 10.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -53.16 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 10.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.1 m -53.41 -39.35 64.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 10.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -78.75 -27.44 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.8 81.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.232 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -79.52 -28.96 41.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.7 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -92.42 -2.58 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.7 t -96.14 124.79 40.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 10.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.469 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 11.4 m-70 -101.45 100.84 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -42.98 -35.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 40' ' ' ASN . . . 111.01 124.67 4.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 10.0 111.054 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -171.74 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.779 . . . . 10.0 109.237 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.68 127.67 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.7 p90 -156.13 -47.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.22 109.06 17.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 10.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.1 101.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.85 -36.13 0.5 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.524 1.14 . . . . 10.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -81.89 123.91 29.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 10.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 m -131.35 146.09 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.939 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.469 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 4.8 m-85 -103.62 172.25 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.9 m -145.19 156.13 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 10.0 110.42 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.2 p -145.12 176.94 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 110.002 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 m -146.04 113.56 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.3 m-85 -89.14 98.45 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 10.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.02 -54.15 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.87 128.75 75.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.574 1.171 . . . . 10.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 87.45 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 10.0 110.974 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 -150.27 5.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 10.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 m -134.35 105.77 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 10.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.8 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 36.8 m-85 -83.25 154.12 24.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.15 . . . . 10.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 m -136.94 139.44 41.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -140.5 153.97 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 10.0 110.963 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 1.8 p90 -141.09 161.2 38.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 61.85 0.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 10.0 108.319 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -50.64 -52.37 56.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.06 60.18 5.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 10.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.43 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 2.6 t-160 -152.41 -66.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 10.0 109.517 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.4 169.41 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 10.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.68 57.38 4.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 10.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.53 -64.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 10.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.57 57.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 10.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.608 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 6.0 mtt -88.54 79.54 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 0.718 . . . . 10.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 93' ' ' GLY . 75.1 t -75.25 -91.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 10.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.404 ' N ' HG13 ' A' ' 92' ' ' VAL . . . 60.32 124.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 10.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 151.82 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 10.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.67 154.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -134.09 125.6 48.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 109.199 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -96.47 156.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.405 1.066 . . . . 10.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 10.0 109.244 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.03 140.77 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.35 138.37 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 10.0 109.294 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 t -123.28 169.31 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 1.203 . . . . 10.0 110.445 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 86.1 t -145.15 161.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -120.06 143.41 48.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 10.0 109.246 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.568 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 33.1 mtt -81.19 95.78 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.51 -130.58 8.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 10.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -144.93 167.24 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 0.81 . . . . 10.0 109.936 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -7.37 47.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -59.34 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.25 82.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 10.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.19 169.31 17.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 10.0 109.402 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.5 mt -80.67 -51.34 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -44.53 146.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 10.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.601 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 3.0 m-30 -99.62 147.04 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.8 tm-20 -143.87 136.67 13.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 110.323 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.99 153.04 98.95 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.933 -2.528 . . . . 10.0 111.004 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -72.84 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.939 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.4 m -117.36 143.74 45.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 10.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.9 145.62 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 137.3 33.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 10.0 110.357 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.95 160.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 10.0 109.364 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -110.06 160.84 16.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 10.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 102.82 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.084 . . . . 10.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 -20.43 7.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 10.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.81 -179.22 4.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 10.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -134.97 171.3 14.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.573 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 2.4 t -134.46 150.04 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -114.15 137.8 51.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 10.0 109.363 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.573 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 18.6 m-90 -124.31 100.8 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.919 -1.141 . . . . 10.0 107.919 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.43 137.91 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 10.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' N ' ' HE2' ' A' ' 7' ' ' MET . 27.7 t-20 -80.65 125.13 29.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 10.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' SER . 42.2 t30 -88.84 -66.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.75 -166.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' SER . 0.8 OUTLIER 63.96 33.07 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.208 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.519 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -40.98 162.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.1 -48.47 0.27 Allowed 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.991 -2.504 . . . . 10.0 111.02 0.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 67.11 115.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 10.0 109.659 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.65 172.76 7.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 10.0 109.212 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.468 HD12 ' CE ' ' A' ' 7' ' ' MET . 1.1 mt -123.55 63.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 96.4 t -79.42 139.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' HZ ' ' CH2' ' A' ' 31' ' ' TRP . 6.2 m-85 -114.32 128.59 56.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 10.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.69 154.42 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 10.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -110.81 78.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.84 -69.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.058 . . . . 10.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.64 -1.11 83.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 10.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.42 168.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.769 . . . . 10.0 109.346 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.1 155.01 41.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -65.51 -56.31 13.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 10.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.09 -59.43 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -47.91 -58.42 4.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 10.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.45 -32.44 26.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.48 98.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -54.39 30.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 10.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.577 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -67.05 -17.68 65.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 t -75.57 132.81 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 58.1 m-70 -106.46 100.95 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 10.0 109.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -78.76 -35.82 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.78 149.25 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.424 1.078 . . . . 10.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -97.14 126.79 42.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 0.725 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.51 ' O ' ' CA ' ' A' ' 38' ' ' PRO . . . -102.47 128.31 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 10.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 67.8 m-85 -127.31 -64.57 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.401 1.063 . . . . 10.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.55 142.94 38.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 69.39 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 10.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.04 -42.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.08 99.78 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 10.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.2 p -107.67 150.25 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 10.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 12.3 m-85 -112.17 175.73 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -145.31 153.73 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.277 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.98 134.91 23.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.5 m -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 10.0 110.442 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.751 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.9 m-85 -88.22 97.96 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 10.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.08 -16.68 37.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.18 124.57 33.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.12 84.36 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.554 1.818 . . . . 10.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.47 -150.17 5.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 10.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 m -129.58 118.39 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 0.816 . . . . 10.0 110.306 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.751 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 64.9 m-85 -100.48 144.4 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 10.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 m -131.32 140.95 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 10.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 17.3 p90 -132.63 155.28 49.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -156.4 161.55 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 10.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.5 m -105.58 147.94 27.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 10.0 108.203 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.513 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 1.3 mt-10 -83.17 -57.9 0.42 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.325 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.89 -171.69 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 10.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 3.0 m170 85.35 48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 10.0 109.668 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.6 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -113.66 -38.3 1.2 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.435 1.084 . . . . 10.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 67.25 63.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 41.45 3.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.429 1.08 . . . . 10.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 16' ' ' PHE . 12.8 mtm -72.27 85.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.53 123.8 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 10.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.59 131.75 1.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -144.91 147.38 32.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 10.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.83 162.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.4 t -141.53 120.64 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 10.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.437 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -97.33 121.81 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.15 144.74 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.379 1.049 . . . . 10.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.03 148.11 24.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.285 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -139.24 150.49 45.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 10.0 110.35 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.97 128.38 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -83.18 125.49 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.623 1.202 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 33.0 mtm -73.5 85.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 10.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.54 171.7 18.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 5.7 m -97.66 147.77 24.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 10.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -47.04 -62.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.99 -54.82 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 109.95 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 71.03 0.1 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.559 1.162 . . . . 10.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.49 146.32 49.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 0.802 . . . . 10.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 75.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 17.8 m -137.4 179.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.628 1.205 . . . . 10.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -145.18 114.19 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.392 1.057 . . . . 10.0 111.052 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.3 139.1 14.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.07 141.8 72.78 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.986 -2.506 . . . . 10.0 111.001 0.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -62.65 -40.36 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -120.59 140.34 51.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 10.0 110.366 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 29.6 m -138.35 151.49 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 10.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.32 140.3 29.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 10.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 0.2 OUTLIER -145.11 159.15 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 109.298 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -104.13 156.71 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.45 100.9 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 10.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.13 -14.76 8.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 10.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -75.2 179.1 5.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 0.754 . . . . 10.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' HG3' ' CG2' ' A' ' 72' ' ' THR . 1.5 mt-10 -128.55 165.71 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 10.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 t -128.42 162.74 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 10.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -134.58 125.99 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 10.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 10.6 m-90 -114.81 99.55 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 10.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.67 143.78 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -76.97 138.9 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -108.55 -69.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 10.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.98 -175.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 10.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp 65.6 70.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.362 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -88.54 160.43 44.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.1 -174.6 14.44 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 10.0 110.964 0.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.03 128.54 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 1.1 m-80 -137.16 142.0 42.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.5 HG23 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -117.01 72.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -82.65 134.82 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.238 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.4 m-85 -110.63 123.19 49.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 10.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.64 155.48 31.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 10.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.94 77.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 10.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -80.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.01 7.85 78.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -126.1 160.95 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.422 0.719 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 157.76 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.14 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 10.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -55.54 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.632 1.208 . . . . 10.0 109.314 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -48.29 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 110.422 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.7 -28.17 69.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.49 82.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 10.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -30.85 65.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 10.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -90.33 -5.88 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 10.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.5 t -93.3 117.44 30.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 21.5 m-70 -92.57 103.62 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 10.0 109.52 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -97.98 36.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.302 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.18 169.75 13.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.65 125.22 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 10.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.49 120.07 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 10.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 27.8 p90 -143.86 -45.08 0.27 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.634 1.209 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.07 102.07 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 109.22 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 111.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.93 -32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.567 1.167 . . . . 10.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -92.7 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 10.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 159.81 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.988 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 8.6 m-85 -117.95 171.22 8.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 10.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.5 m -145.29 154.77 42.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 10.0 110.385 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.403 ' OG ' ' CD2' ' A' ' 56' ' ' LEU . 2.5 p -141.11 179.62 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.421 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 m -144.76 120.68 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.5 m-85 -95.2 98.55 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 10.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 m -88.32 -26.59 22.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 121.44 61.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 10.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 79.71 2.58 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.488 1.783 . . . . 10.0 111.039 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.0 -138.83 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.095 . . . . 10.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -142.56 108.19 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 10.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.775 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 43.4 m-85 -87.27 157.14 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 10.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -133.64 152.09 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 10.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 26.9 p90 -159.09 169.28 24.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -168.17 -176.6 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 10.0 110.946 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' CB ' ' ND1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -91.37 138.84 31.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 10.0 108.281 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -55.65 -51.43 80.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -61.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 124.609 1.847 . . . . 10.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' ND1' ' CB ' ' A' ' 83' ' ' CYS . 15.2 m170 -39.91 -73.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.585 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.08 92.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 110.388 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.49 57.87 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 10.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.9 36.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 10.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.65 49.11 1.56 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.132 . . . . 10.0 111.086 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.56 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 174.5 123.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 10.0 110.951 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -174.98 -92.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.524 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . 70.2 153.87 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 10.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.08 165.66 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 0.82 . . . . 10.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.1 t -114.14 164.83 9.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.546 1.153 . . . . 10.0 109.259 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.4 t -144.04 119.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.629 1.206 . . . . 10.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.41 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.4 t -92.58 156.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 10.0 109.354 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -74.88 136.53 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 10.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.71 154.2 44.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 10.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 9.0 t -142.17 154.99 45.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 10.0 110.447 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 84.3 t -136.57 139.42 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' N ' HG11 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -85.54 140.69 30.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 10.0 109.276 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.486 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 12.5 mtt -75.69 93.42 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 157.48 33.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.137 . . . . 10.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -79.83 148.38 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 10.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -41.68 -56.94 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 10.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -43.96 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 10.0 110.08 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.75 62.98 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 10.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.3 150.32 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 61.52 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 10.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 16' ' ' PHE . 2.1 p -152.45 -165.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 17.1 m-85 -141.57 151.71 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 10.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 8.7 mp0 -144.55 135.04 12.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 110.249 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.08 133.93 33.62 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.931 -2.529 . . . . 10.0 111.019 -0.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 8.0 t -38.02 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 10.0 110.022 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -126.75 136.7 52.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CG2' ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -134.04 162.17 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.58 140.33 32.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 10.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.1 151.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 10.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -97.61 166.07 11.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 10.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.21 90.77 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.67 -28.16 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 10.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.74 -179.56 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.69 174.78 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.645 ' CG1' ' CZ2' ' A' ' 31' ' ' TRP . 18.2 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 10.0 109.374 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 4' ' ' THR . 0.1 OUTLIER -99.44 133.86 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 10.0 109.335 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.645 ' CZ2' ' CG1' ' A' ' 29' ' ' VAL . 18.2 m-90 -122.29 99.64 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.0 132.77 31.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 10.0 109.23 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.09 127.65 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 10.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -106.33 -66.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -167.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.8 70.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 10.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -121.85 161.98 39.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 10.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 162.71 92.25 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.876 0.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -179.01 147.43 0.35 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.47 1.106 . . . . 10.0 109.554 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 5.1 t-20 -131.58 -174.48 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.02 81.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 10.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 48.7 t -79.51 147.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 109.412 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.435 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 6.2 m-85 -123.06 130.4 52.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.08 161.21 28.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.323 1.014 . . . . 10.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.16 74.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -79.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.78 88.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.48 160.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 10.0 109.393 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 161.51 11.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -73.78 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.25 -56.97 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 10.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -47.77 -57.02 6.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -61.42 -25.15 67.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -65.78 -53.85 34.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.51 -42.19 95.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 73' ' ' PHE . 6.9 mt -74.25 -18.79 60.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 10.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.1 t -83.63 113.35 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 12.9 m-70 -75.1 102.45 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 10.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -21.25 19.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.14 90.63 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.58 1.175 . . . . 10.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -49.99 139.4 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 0.713 . . . . 10.0 109.373 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.63 162.6 14.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 10.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -143.67 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 10.0 111.061 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.2 125.51 32.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 10.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.0 79.55 1.19 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -174.36 -39.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 10.0 111.046 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -78.42 104.61 9.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.531 0.783 . . . . 10.0 110.376 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -93.84 161.33 14.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 10.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.452 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 24.6 m-85 -115.25 171.82 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -145.35 150.24 36.23 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 10.0 110.362 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.2 p -145.22 128.9 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 10.0 109.97 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -100.19 136.65 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.626 1.204 . . . . 10.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.696 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 40.7 m-85 -115.25 99.57 7.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 10.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -85.44 -6.66 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 10.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.37 142.94 39.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.9 169.7 22.02 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.55 1.816 . . . . 10.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.8 174.76 13.9 Favored Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.602 1.189 . . . . 10.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.0 m -111.08 121.98 46.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 10.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.696 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 92.5 m-85 -103.22 160.39 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.3 m -144.16 145.56 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 10.0 110.483 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 18.8 p90 -130.18 137.68 50.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 10.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 14.5 p90 -129.64 99.31 5.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 10.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 t -43.15 108.49 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.6 1.187 . . . . 10.0 108.229 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' HG3' ' CE2' ' A' ' 82' ' ' TYR . 1.7 mt-10 -71.55 -55.62 5.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.93 62.26 5.76 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.544 1.813 . . . . 10.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.68 -60.16 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 10.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.43 111.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.36 -56.05 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 10.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' MET . . . -154.36 75.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 10.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . -37.36 97.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 10.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.506 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 24.3 mtt -38.23 125.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 10.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.545 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 2.1 p -83.04 -149.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.545 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . 100.6 132.76 7.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.392 1.057 . . . . 10.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -144.19 148.61 35.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 10.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 t -105.62 151.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.6 t -124.42 126.4 71.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 15.7 t -107.55 116.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.498 1.124 . . . . 10.0 109.405 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -75.19 143.78 43.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.29 113.44 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 9.1 t -119.29 160.65 21.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 10.0 110.384 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 21' ' ' VAL . 54.3 t -142.22 138.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' N ' HG11 ' A' ' 5' ' ' VAL . 2.1 pttt -84.79 107.45 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 mtt -40.48 110.58 0.16 Allowed 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.44 1.088 . . . . 10.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LYS . . . 80.24 167.66 36.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 10.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -83.67 150.1 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.6 -56.19 12.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.88 -55.29 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 10.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.31 86.41 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.44 -171.52 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 10.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD21 ' CE1' ' A' ' 86' ' ' HIS . 2.4 mt -91.85 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -42.35 123.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CE1' ' HA ' ' A' ' 19' ' ' SER . 5.1 p90 -86.81 137.15 32.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 10.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.0 mt-10 -121.26 141.08 32.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 10.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.91 131.92 25.78 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.977 -2.51 . . . . 10.0 111.078 -0.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.587 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 87.6 p -52.36 -46.47 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.3 m -115.88 130.06 56.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 HG22 ' CG2' ' A' ' 5' ' ' VAL . 1.9 t -128.33 169.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.36 140.15 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' CG2' ' A' ' 29' ' ' VAL . 7.9 tt -144.75 160.62 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -93.13 176.76 6.29 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.451 1.094 . . . . 10.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.07 96.75 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 10.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.94 -10.87 5.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 10.0 111.06 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -78.97 -179.41 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 10.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -127.83 163.48 24.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 10.0 110.26 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 12.2 t -124.0 157.54 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 10.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 4' ' ' THR . 7.6 ttmt -131.46 130.06 41.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.572 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -120.71 99.34 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 10.0 107.998 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 p -92.89 144.11 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 10.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.11 127.31 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -100.7 -67.53 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 10.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.88 -170.06 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.86 62.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 9.8 p -86.12 152.65 56.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.1 -172.12 10.35 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.027 -2.489 . . . . 10.0 110.938 0.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.89 93.73 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 109.604 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -93.88 162.93 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -146.45 66.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.26 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 7.3 t -79.91 130.39 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.7 m-85 -101.71 138.58 38.5 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.374 1.046 . . . . 10.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.18 157.35 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.14 78.18 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 109.383 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -107.79 103.64 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 10.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.88 -40.62 3.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 10.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.42 165.2 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 0.723 . . . . 10.0 109.251 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.67 167.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 10.0 109.379 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.54 -51.98 6.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.07 . . . . 10.0 109.232 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.82 -38.74 56.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 10.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 m -67.17 -59.23 3.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 10.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.74 -30.57 23.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 10.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -75.75 -25.03 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.658 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -96.0 0.23 51.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 10.0 109.37 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 t -94.84 130.83 41.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 3.6 m170 -108.76 99.77 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 109.584 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -40.11 -30.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 10.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' HIS . . . 108.35 -140.8 15.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 10.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.2 41.31 0.3 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 0.775 . . . . 10.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.51 107.98 18.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 10.0 109.255 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -139.59 -44.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 116.72 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 10.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.67 163.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 10.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.41 -40.71 3.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 10.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -84.51 103.14 13.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 0.751 . . . . 10.0 110.274 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.6 p -115.7 172.04 7.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 10.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -120.9 169.72 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 10.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.5 m -145.74 149.44 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.2 p -145.78 141.34 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 10.0 110.039 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.2 m -99.98 130.48 46.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.658 ' CE1' ' CD2' ' A' ' 56' ' ' LEU . 3.4 m-30 -100.2 99.03 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 10.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -51.91 5.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 10.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.28 120.82 83.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.04 72.98 4.49 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.537 1.809 . . . . 10.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.52 5.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 10.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -136.3 108.46 7.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 10.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HD13 ' A' ' 56' ' ' LEU . 67.7 m-85 -90.35 148.96 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -138.03 148.25 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 10.0 110.41 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CD2' ' CE2' ' A' ' 43' ' ' PHE . 20.0 p90 -151.92 169.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 10.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 42' ' ' VAL . 4.1 p90 -136.27 167.04 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 10.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -108.3 45.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 108.305 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER 52.58 173.59 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.313 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 58.95 5.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.589 1.836 . . . . 10.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.453 ' CE1' HD21 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -87.07 138.54 31.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 10.0 109.57 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.51 -58.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 10.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 116.44 56.63 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 10.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.16 -46.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 10.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.41 58.71 1.92 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 10.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.437 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 22.8 ptm -43.16 150.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 10.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.56 -165.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 10.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.573 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.53 126.45 4.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 10.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -145.31 179.39 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.436 HG13 ' CE2' ' A' ' 73' ' ' PHE . 5.6 t -119.36 159.23 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.57 116.42 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 10.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 3.8 t -78.32 149.71 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 10.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 7.8 t70 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 10.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.32 155.33 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -81.22 155.22 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -146.64 164.89 31.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 10.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.409 HG23 ' CG1' ' A' ' 21' ' ' VAL . 38.3 t -145.45 153.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -109.48 126.13 53.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.469 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 9.2 mtt -67.99 96.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.97 171.91 32.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 10.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -77.35 173.05 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 10.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -5.38 59.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 10.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -102.19 -55.58 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.949 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.97 72.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 10.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.47 -179.31 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 10.0 109.304 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.86 -61.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 10.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -43.15 138.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 7' ' ' MET . 4.8 m-30 -86.51 149.15 25.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 10.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.8 tm-20 -139.44 129.84 14.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.05 132.8 28.78 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 121.04 -2.484 . . . . 10.0 110.975 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.4 p -51.01 -53.42 33.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 109.935 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -105.96 141.49 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 10.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 33.1 m -145.21 141.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.69 140.64 29.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 10.0 110.332 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG22 ' CG2' ' A' ' 97' ' ' VAL . 2.2 tt -135.84 153.18 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 10.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' N ' HG12 ' A' ' 23' ' ' ILE . 4.7 mmtt -90.69 165.16 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 10.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 120.27 18.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.13 -20.73 35.01 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.546 1.154 . . . . 10.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -75.39 179.11 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.804 . . . . 10.0 110.34 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' OE1' ' CG2' ' A' ' 70' ' ' THR . 0.5 OUTLIER -133.74 178.41 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 10.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 14.5 t -128.49 133.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -105.22 121.41 43.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 10.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 19.0 m-90 -106.73 99.69 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 10.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -88.4 130.75 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -78.86 99.96 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 10.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -77.25 -63.17 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.586 1.179 . . . . 10.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -168.04 2.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 10.0 109.333 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 61.47 66.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 109.22 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.49 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 11.6 p -99.0 152.33 37.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 10.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.066 -2.472 . . . . 10.0 111.039 -0.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.82 132.21 7.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.517 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -127.67 121.75 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 mt -100.1 77.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.378 1.049 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -83.89 146.98 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 10.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -122.11 133.74 54.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 10.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.3 154.17 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.294 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.12 76.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.4 26.15 9.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 10.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -142.82 163.06 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 0.774 . . . . 10.0 109.354 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.14 175.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.06 -44.77 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -43.94 88.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -67.86 -52.96 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.433 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.57 -29.71 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 10.0 109.165 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.81 40.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 10.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.28 -50.69 72.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 10.0 109.379 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.672 ' CD2' ' CZ ' ' A' ' 73' ' ' PHE . 4.9 mt -68.4 -14.27 62.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 10.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 7.2 t -87.94 103.85 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 10.0 110.026 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.2 m-70 -75.39 103.1 5.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 10.0 109.549 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -93.48 35.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.13 -167.36 14.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.45 120.72 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.78 126.46 34.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.96 -66.84 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.13 135.74 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.08 90.74 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 10.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.68 -33.02 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.58 1.175 . . . . 10.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -83.47 100.86 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 10.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.4 p -105.63 155.32 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.435 1.084 . . . . 10.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.2 m-85 -108.72 173.06 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 10.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.413 ' CG2' ' OE1' ' A' ' 28' ' ' GLU . 8.0 m -144.76 149.13 34.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 10.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -145.0 127.01 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 10.0 110.038 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -102.73 141.96 34.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 10.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.715 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 54.1 m-85 -120.07 99.38 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -0.78 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.9 133.08 19.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 10.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 151.03 38.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 10.0 111.007 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.25 -149.19 15.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 10.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m -145.16 102.28 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 10.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.715 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 87.7 m-85 -94.01 162.18 13.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.9 m -138.75 144.14 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 10.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -138.45 152.34 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 10.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 8.1 p90 -144.78 165.11 29.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 1.2 m -104.3 -177.55 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 108.368 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 3.0 mt-10 -171.5 -61.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 10.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.99 51.7 2.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 10.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -156.37 46.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 10.0 109.543 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.49 52.98 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.393 1.058 . . . . 10.0 110.191 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 168.63 -171.62 42.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.405 1.066 . . . . 10.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.54 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 10.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -37.55 128.06 1.37 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.148 . . . . 10.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.429 ' C ' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -176.95 57.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 0.79 . . . . 10.0 110.993 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' GLY . 91.3 t -42.78 -28.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 91' ' ' MET . . . -35.82 123.93 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 10.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -142.47 179.07 7.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 10.0 109.319 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.61 159.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.03 100.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 23' ' ' ILE . 4.9 t -85.99 131.42 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 10.0 109.357 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -77.37 142.46 39.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -142.05 146.71 35.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -139.34 143.8 37.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 10.0 110.415 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 21.9 t -125.48 162.75 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 10.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -110.85 116.5 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 10.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 6' ' ' LYS . 33.6 mtt -36.57 -63.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 10.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.37 158.91 15.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -78.91 165.35 23.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 10.0 109.965 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -39.6 -50.67 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -100.83 45.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 10.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 38.77 61.98 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 10.0 111.06 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.37 169.11 10.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 10.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 3.6 mm? -75.38 -172.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 10.0 109.309 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 6.5 m 50.16 -179.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 10.0 109.389 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -130.4 152.36 49.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.97 137.17 20.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.552 1.157 . . . . 10.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.0 138.54 56.66 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.968 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -35.06 -52.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 10.0 110.065 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.6 m -125.44 149.02 48.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 19.6 m -134.46 164.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 10.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.5 139.31 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 10.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 0.4 OUTLIER -143.88 151.97 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' N ' HD12 ' A' ' 23' ' ' ILE . 6.7 mmtt -109.23 163.93 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 10.0 109.374 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.51 87.48 3.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 10.0 109.367 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.15 -29.63 1.65 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.118 . . . . 10.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' CB ' HD13 ' A' ' 23' ' ' ILE . 2.4 mp0 -78.85 -179.54 6.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 10.0 110.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -135.41 176.48 8.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 10.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.586 ' HB ' ' CH2' ' A' ' 31' ' ' TRP . 79.5 t -126.62 147.88 31.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -112.52 133.79 54.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 10.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.586 ' CH2' ' HB ' ' A' ' 29' ' ' VAL . 21.6 m-90 -122.27 101.42 7.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 33' ' ' ASN . 92.6 t -90.2 139.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 10.0 109.396 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' N ' HG11 ' A' ' 32' ' ' VAL . 65.7 t30 -81.36 108.76 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.01 -76.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 10.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 179.34 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.99 63.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.494 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 28.4 p -86.76 151.5 52.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 10.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 -170.55 8.37 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.997 -2.501 . . . . 10.0 110.969 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.63 153.53 28.71 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 10.0 109.549 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.417 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 1.9 m120 -153.18 155.83 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 10.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.559 HG21 ' CD2' ' A' ' 81' ' ' TYR . 20.3 mt -135.9 61.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.73 130.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 10.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.1 m-85 -97.02 144.99 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 10.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.45 131.95 44.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 10.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . . . -107.55 85.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -69.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.11 4.07 82.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 10.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.523 HG12 ' CZ ' ' A' ' 79' ' ' TYR . 18.0 t -119.5 168.45 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.461 0.741 . . . . 10.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.72 142.35 53.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 10.0 109.226 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -69.08 -41.51 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.626 1.204 . . . . 10.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -58.86 -68.26 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -48.26 -39.54 21.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.325 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 45' ' ' ALA . . . -71.78 -28.91 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 10.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -56.37 -57.55 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.612 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 10.6 mt -84.84 -7.07 59.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 10.2 p -90.68 122.36 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 14.7 m-70 -100.08 101.44 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.79 -26.47 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 10.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 40' ' ' ASN . . . 98.03 -135.62 12.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 10.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 79.44 41.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 10.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.74 117.97 35.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.415 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 54.8 m-85 -121.49 -56.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.387 1.054 . . . . 10.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 140.01 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 10.0 109.176 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.56 73.52 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.36 -41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.444 1.09 . . . . 10.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.32 104.25 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 10.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.3 p -105.98 159.02 16.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 16.1 m-85 -115.85 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 10.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.3 m -145.07 150.71 37.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 10.0 110.411 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 5.6 p -145.29 133.68 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.5 m -107.64 142.38 37.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 110.418 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.712 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 52.2 m-85 -120.58 100.27 7.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.96 -29.47 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -102.86 143.58 26.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 10.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.9 32.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 10.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.7 16.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 10.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 32.0 m -112.79 137.18 51.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 10.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.712 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 89.2 m-85 -119.84 163.69 17.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 10.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 m -142.58 141.61 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.325 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.559 ' CD2' HG21 ' A' ' 41' ' ' ILE . 34.6 p90 -142.84 161.52 37.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 10.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 94.1 m -93.82 100.45 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 10.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 1.1 mt-10 -51.99 -56.2 23.79 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 10.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.5 1.79 . . . . 10.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 4.7 t60 48.38 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 10.0 109.526 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.41 39.46 1.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 10.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.06 -104.66 0.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.154 . . . . 10.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -80.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 10.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.58 131.73 2.47 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.492 1.12 . . . . 10.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.464 ' HE3' ' CG ' ' A' ' 86' ' ' HIS . 1.8 mtm -93.26 171.92 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 10.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.86 143.37 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.6 133.25 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 10.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -144.61 153.78 42.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 10.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -112.07 156.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 10.0 109.367 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 66.9 t -129.55 117.56 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 10.0 109.24 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.454 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 21.2 t -100.79 101.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.179 . . . . 10.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -143.95 163.45 33.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 10.0 109.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.67 129.47 56.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 10.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 t -119.47 150.2 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 10.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 t -137.68 112.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 109.278 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.78 114.83 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.467 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 30.6 mtt -57.47 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 10.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.39 176.91 49.69 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.473 1.108 . . . . 10.0 111.004 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.4 OUTLIER -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.396 0.704 . . . . 10.0 109.961 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 t70 -39.31 -42.12 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' O ' ' CD2' ' A' ' 36' ' ' LEU . . . -37.87 -36.2 0.3 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.537 1.148 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 36' ' ' LEU . . . 68.1 118.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 10.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tp -145.1 -61.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 10.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.02 -157.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 6.1 p90 -145.14 129.52 17.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 10.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 13.0 tt0 -144.43 135.12 12.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 10.0 110.308 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 148.37 91.59 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.029 0.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.513 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 12.2 p -43.8 -42.83 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.945 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.7 m -138.6 162.81 33.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 10.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -142.01 137.6 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 10.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.46 129.25 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 10.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.491 ' CG2' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -126.21 162.05 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 10.0 109.272 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -108.52 150.89 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 10.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 96.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 10.0 109.38 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.11 -23.11 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' CB ' HD12 ' A' ' 23' ' ' ILE . 51.5 mm-40 -74.67 -179.68 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.392 0.701 . . . . 10.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' ' 72' ' ' THR . 0.0 OUTLIER -134.12 168.46 18.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 10.0 110.25 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 2.4 t -127.19 145.66 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 10.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' N ' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -112.3 117.84 33.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.347 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 13.7 m-90 -101.65 100.09 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.01 145.68 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 10.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -86.97 101.0 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -66.76 -67.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -171.57 177.27 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 10.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 79.37 49.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 10.0 109.379 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.481 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 19.1 p -64.87 151.91 91.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 37' ' ' SER . 17.9 Cg_endo -75.06 -167.34 5.58 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.928 -2.53 . . . . 10.0 110.96 0.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.27 112.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 109.536 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 44.0 t30 -122.59 150.61 42.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.454 1.096 . . . . 10.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.573 HG23 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -125.84 78.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 13.3 t -83.6 132.86 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 4.4 m-85 -110.03 142.81 40.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 10.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 147.52 27.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 10.0 109.379 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 73.27 10.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.63 1.207 . . . . 10.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.15 100.31 11.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 10.0 109.225 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.38 -37.93 3.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 10.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.7 t -85.33 166.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 10.0 109.264 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.61 157.41 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 10.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.31 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.62 1.2 . . . . 10.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.71 -44.7 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -56.23 -52.57 63.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 10.0 110.43 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.44 -13.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -67.05 -60.68 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 10.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' CG ' HD21 ' A' ' 56' ' ' LEU . 3.9 ptpt -60.23 -38.08 82.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD13 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.27 -27.77 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -74.77 130.2 39.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 10.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 85.7 m-70 -105.41 101.0 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.345 1.028 . . . . 10.0 109.544 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.57 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.23 -31.45 5.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 10.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.96 124.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 10.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . . . -116.85 160.76 20.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 10.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -158.78 -44.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -77.73 107.59 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.216 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.36 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 10.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 164.74 -45.41 0.3 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.15 113.32 12.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.68 134.15 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 2.1 m-85 -89.22 177.55 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 10.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 m -145.22 145.26 31.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 10.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -139.19 134.2 32.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 10.0 109.967 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 47.4 m -102.55 128.86 49.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.543 1.152 . . . . 10.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.4 m-85 -95.33 97.95 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 10.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -38.88 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 10.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.01 124.52 61.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 10.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 85.35 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 10.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.3 -148.09 5.1 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.626 1.204 . . . . 10.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 78' ' ' THR . 14.2 t -134.04 99.49 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 10.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 69.6 m-85 -80.54 146.64 31.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 10.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -126.32 147.6 49.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 10.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' VAL . 3.7 p90 -151.16 154.77 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.173 . . . . 10.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 40.5 p90 -146.16 119.49 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 10.0 110.98 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -45.34 124.69 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 10.0 108.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.8 OUTLIER -56.87 -51.43 81.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 10.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 87' ' ' ARG . 28.6 m80 71.33 -73.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' HIS . 12.5 ttt180 39.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.603 1.189 . . . . 10.0 110.209 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.96 39.08 1.6 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.541 1.151 . . . . 10.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.71 -51.25 1.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.618 0.834 . . . . 10.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.57 47.17 0.54 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.59 1.181 . . . . 10.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.562 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 ttt -128.83 116.68 19.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 10.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 81' ' ' TYR . 13.4 m -132.17 -56.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.526 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.54 142.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 10.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -138.49 172.13 13.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 10.0 109.245 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.69 160.73 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.17 123.45 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.2 t -97.2 146.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -145.26 178.36 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 10.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' O ' ' CG1' ' A' ' 29' ' ' VAL . . . -113.4 107.49 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t -112.52 158.24 20.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 110.451 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.435 ' CG2' HG13 ' A' ' 21' ' ' VAL . 38.8 t -142.47 132.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -72.85 113.16 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 ttm -73.95 71.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.3 -174.29 15.59 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 10.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -85.58 169.18 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 0.721 . . . . 10.0 109.967 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.5 t70 -34.05 -47.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 10.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.23 89.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 10.0 110.07 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.03 -68.04 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.142 . . . . 10.0 111.028 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.2 166.71 22.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.757 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 HD21 ' CE1' ' A' ' 86' ' ' HIS . 1.2 tt -119.57 88.52 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.88 154.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 10.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' A' ' 91' ' ' MET . 3.2 p90 -126.05 100.87 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 10.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.6 mt-10 -138.4 142.63 35.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -75.02 133.54 31.88 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 10.0 111.037 0.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.437 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 5.1 t -43.63 -52.29 6.45 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.479 1.112 . . . . 10.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 m -115.27 141.36 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.349 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.458 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 33.2 m -133.25 168.06 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.202 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.92 128.97 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG2' HG22 ' A' ' 97' ' ' VAL . 2.9 tt -126.43 154.9 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 10.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 23' ' ' ILE . 9.4 mmtt -86.49 164.85 16.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 10.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.47 73.64 7.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 10.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.47 -28.12 0.38 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 10.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -74.96 -179.98 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 10.0 110.36 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' CB ' ' O ' ' A' ' 71' ' ' SER . 1.0 OUTLIER -130.69 178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.593 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 17.4 t -125.79 141.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' HG12 ' A' ' 29' ' ' VAL . 9.3 ttpt -113.08 117.03 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 10.0 109.249 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 11.0 m-90 -104.27 99.36 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 10.0 107.961 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.2 t -88.89 133.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.356 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 33' ' ' ASN . 20.7 t-20 -75.46 100.9 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -62.28 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.86 -172.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 16.2 mt 66.21 69.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.227 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.468 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -87.84 155.36 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 10.0 110.1 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 -168.72 6.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.951 -2.521 . . . . 10.0 111.018 0.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -158.95 130.12 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 10.0 109.594 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 60' ' ' GLY . 1.9 m120 -125.76 163.8 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.623 ' CG2' ' CD1' ' A' ' 81' ' ' TYR . 5.8 mt -148.53 69.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 10.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.7 t -80.09 134.7 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.4 m-85 -106.55 142.73 35.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.88 156.75 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.23 79.27 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -99.97 76.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 10.0 109.243 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -21.43 36.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 10.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -98.02 157.37 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 151.58 22.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.39 -53.16 20.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.221 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -46.26 -58.45 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -52.11 -42.06 62.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -65.7 -30.61 71.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 -23.59 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.62 -22.63 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.627 ' CD2' ' CZ ' ' A' ' 73' ' ' PHE . 5.8 mt -104.96 2.99 30.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 10.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.5 t -96.72 113.31 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.9 m170 -90.49 103.76 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -25.33 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.246 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 93.28 -147.85 18.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.119 . . . . 10.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER 87.32 39.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 10.0 109.328 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.95 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 10.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.17 -63.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.79 140.34 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.89 50.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 10.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.18 -41.57 0.1 OUTLIER Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.516 1.135 . . . . 10.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.35 112.22 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 10.0 110.223 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 p -108.71 145.36 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.939 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -94.89 173.86 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 10.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.0 m -145.19 145.09 31.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 3.3 p -145.3 129.46 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 10.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -101.2 137.14 39.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 110.386 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.678 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 43.3 m-85 -119.32 99.47 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -20.4 32.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 10.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -107.54 134.22 20.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.88 15.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 10.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.3 157.14 9.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.607 1.192 . . . . 10.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.6 m -89.26 125.5 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 0.837 . . . . 10.0 110.447 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.678 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 87.9 m-85 -109.14 158.3 17.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 10.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.7 m -136.94 148.09 46.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.623 ' CD1' ' CG2' ' A' ' 41' ' ' ILE . 41.5 p90 -151.82 153.61 34.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.75 -150.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 8.8 t -163.53 37.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 10.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 54.48 167.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 110.251 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 61.69 5.65 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.594 1.839 . . . . 10.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -83.3 82.9 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 10.0 109.56 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.55 63.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.357 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . 90.9 -82.82 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 10.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 88' ' ' GLY . . . 168.13 -75.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 10.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . 37.44 43.74 1.11 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.495 1.122 . . . . 10.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.566 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -170.44 133.14 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 10.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -152.56 -83.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 10.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.535 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . 65.54 152.19 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 10.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.44 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 10.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.1 t -94.58 164.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.4 t -142.65 107.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.634 1.209 . . . . 10.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 73' ' ' PHE . 2.4 t -92.96 117.95 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 10.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -75.25 139.59 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 10.0 109.33 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.99 151.78 19.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.646 1.217 . . . . 10.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 12.7 t -143.81 148.56 35.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.611 1.194 . . . . 10.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 9.0 t -134.96 161.93 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 10.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -114.52 126.17 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.489 ' HB3' ' CG ' ' A' ' 39' ' ' HIS . 1.7 mpp? -71.25 73.75 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 10.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.18 154.84 9.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 10.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.64 156.02 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 10.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.79 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 10.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 m -39.12 -57.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 10.0 110.057 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.06 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.545 1.153 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.67 173.69 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 10.0 109.25 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' CD1' ' HA3' ' A' ' 88' ' ' GLY . 1.1 pp -127.04 83.84 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.53 -171.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 92' ' ' VAL . 2.1 p90 -134.07 108.66 8.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 10.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.62 139.45 33.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.148 . . . . 10.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -75.01 138.25 54.98 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 111.032 0.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PRO . 83.7 p -37.56 -42.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -128.84 131.77 47.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 18.6 m -123.0 151.5 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 10.0 109.343 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -102.3 143.07 32.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.325 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.453 HG23 ' CG1' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.56 145.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 10.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' N ' HD13 ' A' ' 23' ' ' ILE . 21.2 mttt -87.88 163.1 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.36 113.76 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.79 -31.4 5.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -179.46 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 10.0 110.376 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.87 173.15 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 23.1 t -119.67 152.5 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 10.0 109.239 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 4' ' ' THR . 0.0 OUTLIER -120.41 125.94 49.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 25.3 m-90 -116.39 99.47 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 10.0 108.0 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.6 148.68 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 10.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.418 ' ND2' ' HE1' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.45 130.95 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.17 -80.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 10.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.24 -178.55 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.282 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mp 66.05 67.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -83.33 160.69 59.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.993 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.07 -174.55 14.35 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.979 -2.509 . . . . 10.0 110.99 0.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.13 95.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.674 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -104.57 151.41 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 10.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.455 HD13 ' CB ' ' A' ' 31' ' ' TRP . 1.3 mt -118.5 71.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -82.61 130.92 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.3 m-85 -103.44 141.1 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.17 141.22 32.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.89 76.69 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 10.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.0 104.39 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.67 3.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.604 1.19 . . . . 10.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.8 t -78.85 165.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.26 165.43 2.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 10.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -81.18 -67.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -40.08 -51.74 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -50.91 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -46.22 -53.84 9.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 10.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.97 -52.26 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 10.0 109.285 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.52 -57.4 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.611 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 3.9 mt -63.7 -12.65 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.644 1.215 . . . . 10.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.1 p -81.52 122.49 27.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.937 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 27.8 m-70 -90.4 102.2 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 10.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.52 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.68 -29.62 5.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 10.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.07 118.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 0.757 . . . . 10.0 109.389 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 63' ' ' PHE . . . -87.11 174.66 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 10.0 109.386 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' ALA . 55.4 m-85 -164.14 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.61 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.05 85.49 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 10.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -32.53 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 10.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.46 99.93 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.809 . . . . 10.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.83 153.43 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -113.79 174.31 5.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.7 m -144.49 152.45 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 10.0 110.481 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 2.5 p -145.44 133.39 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 10.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 138.52 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.714 ' CE1' ' CD1' ' A' ' 79' ' ' TYR . 37.7 m-85 -119.04 98.86 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 10.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.97 -25.61 40.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -107.59 131.77 21.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 144.89 30.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 10.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.73 -171.43 36.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 10.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.1 m -115.4 123.95 49.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 10.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.714 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 91.2 m-85 -111.8 164.02 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 51.9 m -135.92 150.51 49.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 110.368 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CD2' HG21 ' A' ' 41' ' ' ILE . 14.8 p90 -152.32 163.01 40.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.58 177.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 41.9 m -97.59 137.23 36.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 10.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -76.83 -50.71 2.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 10.0 110.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -90.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.424 1.749 . . . . 10.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.864 ' CE1' 'CU ' ' A' ' 99' ' ' ' CU' . 0.1 OUTLIER 50.0 -173.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.602 1.189 . . . . 10.0 109.601 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -158.78 -42.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 87' ' ' ARG . . . -34.09 -91.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 10.0 111.02 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' GLY . . . -148.52 39.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . 32.8 86.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 10.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.699 ' CE ' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -76.33 155.2 34.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 10.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 4.7 m -152.42 125.83 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 10.0 109.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.494 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . -117.39 178.6 17.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -144.76 140.07 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 10.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.7 t -107.49 161.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 10.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.8 t -132.58 120.82 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 10.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.453 ' CG1' HG23 ' A' ' 23' ' ' ILE . 1.8 t -115.02 134.69 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 10.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 10.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . 0.864 'CU ' ' CE1' ' A' ' 86' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.82 147.47 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 10.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -130.22 132.63 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.232 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -138.85 148.81 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.2 t -139.2 149.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 10.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -103.68 121.35 42.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 10.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.46 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.4 OUTLIER -63.1 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 10.0 110.963 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.53 151.14 11.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 10.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -82.29 138.05 34.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 10.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -42.61 -56.23 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 10.0 109.371 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -59.73 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 10.0 110.048 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.68 62.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 10.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.88 167.41 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 0.813 . . . . 10.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD23 ' CG ' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -104.66 53.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.44 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 10.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.499 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 50.8 m-85 -76.51 115.21 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 10.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 5.8 tt0 -127.93 136.14 28.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 110.362 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.5 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 138.47 56.28 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.994 -0.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -53.13 -49.21 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 10.0 110.034 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -104.53 142.3 34.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 10.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -143.17 146.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.537 1.148 . . . . 10.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.48 142.62 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 10.0 110.32 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG13 ' CG2' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -144.79 157.44 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.458 ' HG3' ' CB ' ' A' ' 1' ' ' ALA . 1.1 mmtp -110.77 159.26 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.24 96.49 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 10.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.48 -15.33 8.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.411 1.07 . . . . 10.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' CB ' HD12 ' A' ' 23' ' ' ILE . 4.9 mp0 -74.8 -179.94 4.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 10.0 110.371 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -128.3 164.01 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 10.0 110.291 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 27.5 t -133.86 136.6 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 139.96 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 10.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.521 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 7.4 m-90 -123.1 99.76 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.5 t -86.4 136.48 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.07 139.46 36.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -111.29 -66.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.624 1.203 . . . . 10.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -161.46 -169.22 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 10.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 2.0 mm? 64.29 70.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 10.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 16.0 m -93.14 149.69 37.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 10.0 110.034 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.04 -166.45 4.9 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.964 0.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.46 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -156.38 118.65 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.609 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 5.9 m120 -121.11 142.27 50.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 10.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mt -123.89 69.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 10.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.71 142.8 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.445 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 6.0 m-85 -116.28 139.1 50.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.11 148.15 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.76 75.98 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.77 104.9 15.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.95 -41.99 3.13 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 52' ' ' THR . 38.9 t -83.57 168.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 0.733 . . . . 10.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 170.97 2.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 109.364 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.32 -63.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 10.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 3.7 m-20 -45.39 -45.46 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.409 HG23 ' CG1' ' A' ' 48' ' ' VAL . 7.1 m -55.15 -64.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.418 1.074 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.66 -24.64 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -58.15 -62.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.402 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -56.95 -36.6 70.46 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.338 1.024 . . . . 10.0 109.274 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.18 -26.17 63.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 10.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 35.8 t -77.73 141.06 39.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 31.7 m-70 -105.26 99.67 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.172 . . . . 10.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -97.32 34.79 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.36 -130.8 6.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 10.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.39 122.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 10.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.63 128.63 53.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -144.71 -45.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.352 1.032 . . . . 10.0 111.003 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 108.59 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 10.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.79 118.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.67 -40.08 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 10.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.23 104.79 5.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 0.745 . . . . 10.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.63 127.1 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 10.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 13.4 m-85 -88.78 176.94 6.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 10.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.5 m -144.87 159.02 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 10.0 110.353 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.512 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 6.1 t -144.8 147.14 32.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 10.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 4.6 m -121.72 115.17 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -91.63 99.28 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.43 -27.32 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.36 126.7 35.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.99 87.61 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 10.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.88 -148.38 4.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 10.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.9 m -136.96 102.23 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 10.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.755 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 62.4 m-85 -83.56 147.45 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 10.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.1 m -123.36 143.81 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 10.0 110.404 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -144.34 149.48 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 10.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 20.3 p90 -153.74 121.36 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 10.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -42.48 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.288 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -38.69 -54.91 2.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.249 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 17.7 Cg_endo -75.03 -164.07 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 10.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.52 ' CG ' HD23 ' A' ' 14' ' ' LEU . 6.0 m170 66.01 -74.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.574 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER 66.74 -70.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 10.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -37.43 -65.98 0.58 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 10.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -41.74 -51.1 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 10.0 109.243 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.78 60.23 2.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.453 1.095 . . . . 10.0 111.033 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.499 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 5.0 mtt -64.75 118.01 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 10.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.2 t -105.15 171.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 10.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.97 138.33 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 10.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -144.6 158.82 43.6 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.464 0.743 . . . . 10.0 109.238 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -108.66 158.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.18 122.42 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 10.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 3.6 t -105.41 135.41 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 10.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 10.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -75.42 157.39 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 10.0 109.342 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -88.24 152.51 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 t -145.8 157.41 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 10.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 6' ' ' LYS . 34.5 t -145.49 144.84 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 10.0 109.223 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' N ' HG11 ' A' ' 5' ' ' VAL . 4.2 pttm -96.26 127.18 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 10.0 109.272 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.514 ' SD ' ' CD1' ' A' ' 41' ' ' ILE . 18.9 mtm -64.66 90.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.59 -142.35 16.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 10.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.6 t -134.98 160.39 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 10.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -65.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -48.22 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.43 ' HA2' ' CD2' ' A' ' 36' ' ' LEU . . . 123.13 56.72 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 10.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 178.18 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 10.0 109.29 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -75.13 -163.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 10.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 7.1 m 50.93 177.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 60.8 m-85 -125.82 141.37 52.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 10.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.73 130.45 18.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.94 135.54 40.97 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.038 -2.484 . . . . 10.0 111.055 -0.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 m -54.93 -51.78 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 10.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -108.84 138.84 44.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 20.5 m -142.09 145.71 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 10.0 109.335 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.91 138.68 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 10.0 110.41 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.521 HG21 ' CD2' ' A' ' 73' ' ' PHE . 8.3 tt -141.9 159.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.1 mmtt -95.95 161.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 10.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 87.01 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 10.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 144.3 -22.57 2.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 10.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.95 -178.53 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -129.52 173.84 10.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 110.309 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.6 HG13 ' CZ3' ' A' ' 31' ' ' TRP . 3.6 t -131.49 142.43 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 10.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -116.27 125.61 52.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.486 1.116 . . . . 10.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.6 ' CZ3' HG13 ' A' ' 29' ' ' VAL . 6.3 m-90 -112.29 100.06 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 33' ' ' ASN . 95.8 t -88.35 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 10.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' N ' HG11 ' A' ' 32' ' ' VAL . 49.3 m-80 -79.71 119.25 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' SER . 2.1 t-20 -85.23 -71.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.464 1.103 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -167.2 -157.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 10.0 109.322 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD2' ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 43.04 62.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 10.0 109.246 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.4 m -83.44 160.14 60.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.052 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.91 -172.56 10.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.032 -2.487 . . . . 10.0 110.992 -0.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.29 97.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 10.0 109.65 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 61' ' ' LEU . 13.9 m-80 -93.47 146.22 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 10.0 109.38 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.514 ' CD1' ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.68 81.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.01 147.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' HZ ' ' CH2' ' A' ' 31' ' ' TRP . 4.8 m-85 -125.31 131.51 53.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.38 160.21 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.73 75.83 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 10.0 109.371 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.72 -71.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 10.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.96 64.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.432 1.082 . . . . 10.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.09 154.05 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.491 0.759 . . . . 10.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.52 162.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.65 -46.15 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.633 1.208 . . . . 10.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.22 -45.67 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 m -61.21 -63.35 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 10.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.22 -38.0 38.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.098 . . . . 10.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.82 -51.88 64.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 10.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -53.77 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 73' ' ' PHE . 3.8 mp -64.55 -14.86 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 10.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 t -86.79 112.79 22.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 10.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.3 m-70 -80.76 104.39 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 10.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 35.57 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.92 -145.07 13.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 10.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' CD1' ' OD1' ' A' ' 40' ' ' ASN . 8.8 tp -162.1 124.68 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.746 . . . . 10.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.96 157.44 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 10.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 35.3 m-85 -154.74 -46.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 141.39 31.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 10.0 109.359 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.19 -43.45 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.386 1.054 . . . . 10.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -76.89 145.65 38.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 10.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -145.5 143.52 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 110.017 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.9 m-85 -96.13 172.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 10.0 111.015 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.6 m -145.52 146.78 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 10.0 110.423 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.7 p -144.43 124.92 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 10.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.7 m -86.9 125.66 34.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CD1' HD23 ' A' ' 56' ' ' LEU . 3.1 m-85 -93.94 98.55 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 10.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -93.07 -49.95 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.72 120.46 80.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 10.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.473 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.01 61.03 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 10.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.19 -142.68 6.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -143.03 106.49 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 10.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HD21 ' A' ' 56' ' ' LEU . 53.1 m-85 -87.16 152.86 21.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -131.81 149.62 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 10.0 110.374 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -147.59 152.33 37.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 10.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.549 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.7 p90 -158.43 110.42 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 10.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.431 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 1.6 t -44.56 102.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 10.0 108.228 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.549 ' HG3' ' CE2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -76.96 -55.73 1.39 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 10.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.0 55.7 4.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 10.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.582 ' CE1' ' HE3' ' A' ' 91' ' ' MET . 11.2 t60 -113.28 146.98 38.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . -61.47 -117.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.433 1.083 . . . . 10.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 88' ' ' GLY . . . 164.05 100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 0.829 . . . . 10.0 109.275 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.84 -94.59 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 10.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.595 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 50.82 101.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 10.0 110.954 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.64 167.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.55 129.96 2.73 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.546 1.154 . . . . 10.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -143.98 170.61 15.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 10.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -124.88 158.17 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -135.53 114.9 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 10.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 76' ' ' PRO . 11.8 t -74.39 152.87 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.0 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -135.95 149.04 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.6 136.22 40.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 10.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 t -132.54 146.36 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.0 t -136.77 138.2 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.389 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.2 pttp -82.64 52.81 2.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.8 mtt 37.2 -94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 10.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -70.71 -161.63 3.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 10.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -119.69 151.89 38.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 0.774 . . . . 10.0 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 10.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -41.91 -47.82 4.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 10.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.08 63.67 0.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.595 1.184 . . . . 10.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.83 139.41 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 10.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.2 76.57 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -160.85 -163.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 69.1 m-85 -137.85 135.69 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -136.06 136.23 22.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 10.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.95 137.25 49.28 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 10.0 111.046 -0.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' PRO . 3.2 m -35.27 -49.96 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 10.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -120.75 139.33 53.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 10.0 110.343 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.445 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 35.0 m -130.97 144.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.433 1.083 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.31 138.48 32.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 10.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -145.87 152.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 10.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -93.68 157.21 16.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.94 114.26 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.98 -11.3 37.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 10.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.21 -179.31 4.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 10.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -128.82 163.07 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 110.278 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.518 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.3 t -123.18 157.85 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.411 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.6 ttpt -131.17 128.26 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.518 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.9 m-90 -116.71 99.56 7.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 10.0 107.984 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG11 ' N ' ' A' ' 33' ' ' ASN . 98.3 t -84.23 144.0 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.419 ' N ' HG11 ' A' ' 32' ' ' VAL . 49.8 t-20 -83.44 134.91 34.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -121.12 -68.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -154.99 -168.62 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 60.98 69.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.634 1.209 . . . . 10.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.497 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -132.73 162.06 59.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 10.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.497 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.0 173.54 57.39 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.996 -2.501 . . . . 10.0 110.998 -0.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 2.4 p80 -176.78 167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 46.9 p30 -140.97 168.6 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -126.17 83.81 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 10.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 93.5 t -80.88 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' HZ ' ' CH2' ' A' ' 31' ' ' TRP . 6.0 m-85 -118.19 144.49 45.69 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 10.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.78 144.77 31.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 10.0 109.303 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.58 76.69 9.52 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 10.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -96.07 100.19 11.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 10.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -30.79 5.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 10.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.7 t -94.21 163.45 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 10.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -58.75 164.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.52 -55.72 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 2.8 m-20 -46.95 -49.06 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -55.25 -62.32 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 10.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -53.74 -24.46 15.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -55.66 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -52.95 -43.12 66.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.648 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 10.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -74.68 114.45 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.9 m-70 -74.6 99.98 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 10.0 109.652 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.1 37.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 10.0 109.375 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.25 -146.73 7.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 10.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD21 ' CZ ' ' A' ' 63' ' ' PHE . 6.0 tp -172.79 124.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 10.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -104.7 144.31 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.516 ' CZ ' HD21 ' A' ' 61' ' ' LEU . 40.1 m-85 -131.24 -58.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.73 130.31 38.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 10.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.73 90.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.47 -36.17 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.52 109.07 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 10.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.4 p -111.9 153.93 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 10.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 24.7 m-85 -104.69 172.72 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.9 m -145.29 154.31 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 110.432 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -141.15 174.8 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 10.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.3 m -145.68 110.69 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 10.0 110.437 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.724 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.4 m-85 -89.5 98.73 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -60.62 2.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.401 1.063 . . . . 10.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.58 127.64 91.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 80.59 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 10.0 111.055 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.07 -146.66 5.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 10.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -137.15 117.67 13.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 0.808 . . . . 10.0 110.371 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 45.7 m-85 -97.04 160.0 14.59 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 10.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 21.3 m -137.53 153.21 50.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 10.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE1' ' HA ' ' A' ' 94' ' ' LYS . 8.2 p90 -148.91 152.45 36.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 10.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -143.66 136.13 27.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 10.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 1.8 t -92.43 96.1 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.352 1.033 . . . . 10.0 108.311 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -73.36 -51.56 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 10.0 110.242 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 64.19 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -144.15 36.46 1.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 10.0 109.558 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLY . 4.4 ttt180 58.91 45.48 15.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 10.0 110.406 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' ARG . . . 37.25 91.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.648 1.217 . . . . 10.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.4 -55.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 10.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.34 -78.71 0.21 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 10.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.574 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.7 mtt 44.05 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 0.816 . . . . 10.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 93' ' ' GLY . 71.0 t -99.63 -95.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.298 0.999 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.443 ' C ' ' CZ ' ' A' ' 81' ' ' TYR . . . 60.82 135.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.586 1.179 . . . . 10.0 110.994 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.453 ' HA ' ' CE1' ' A' ' 81' ' ' TYR . 69.1 mttt -138.87 176.91 8.29 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.549 0.793 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -123.12 165.91 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 10.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.1 t -145.19 115.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 10.0 109.199 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.4 t -91.12 142.77 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 10.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.67 173.9 10.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -80.26 156.96 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -146.54 155.38 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 10.0 110.452 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 117.4 34.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.201 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.425 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -44.97 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 10.0 111.046 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.63 140.59 24.49 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.6 1.188 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.03 156.46 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 10.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.14 -39.15 81.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.72 40.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.02 50.38 3.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 10.0 111.084 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.98 163.26 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 10.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt -84.07 -59.76 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 109.225 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -41.16 128.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 10.0 109.225 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 72.1 m-85 -75.25 135.3 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 10.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.9 tt0 -134.21 131.69 20.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 10.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.1 Cg_endo -75.03 132.41 27.47 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.006 -2.498 . . . . 10.0 110.97 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.442 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 79.4 p -51.39 -53.43 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 10.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -102.7 139.09 38.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 10.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 23.0 m -144.91 134.35 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 10.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -82.88 145.47 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 ' CG2' ' HA ' ' A' ' 97' ' ' VAL . 5.7 tt -145.79 158.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 10.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.45 161.53 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 10.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 104.31 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 10.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.24 -13.08 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 10.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.75 -179.35 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 0.702 . . . . 10.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.11 178.21 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 10.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 2.9 t -145.39 126.95 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -101.82 120.45 40.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 9.0 m-90 -103.99 99.78 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 33' ' ' ASN . 49.3 t -91.42 143.57 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 10.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.416 ' N ' HG12 ' A' ' 32' ' ' VAL . 56.1 t-20 -93.37 119.42 32.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.63 1.206 . . . . 10.0 109.266 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -90.58 -62.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -172.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.6 mp 67.44 68.19 0.38 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.476 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.4 p -95.13 151.73 38.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.483 1.114 . . . . 10.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.94 -165.35 4.1 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 10.0 111.039 -0.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -165.93 121.8 1.3 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 10.0 109.623 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -122.1 137.88 54.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 10.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.425 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 1.1 mp -109.88 69.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.4 t -81.36 140.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 10.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 5.8 m-85 -116.74 130.37 56.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.14 149.38 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 10.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.1 80.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -100.33 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.596 1.185 . . . . 10.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.56 9.37 64.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.2 t -129.78 162.99 36.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.565 0.803 . . . . 10.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.16 171.54 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.82 -53.4 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 10.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.28 -47.69 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -57.96 -53.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -61.06 -24.73 66.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 10.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.76 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.625 1.203 . . . . 10.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -48.64 70.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -62.39 -28.0 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.8 t -77.47 122.54 25.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 47.7 m-70 -93.49 101.29 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.684 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -40.42 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 10.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.67 170.85 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 10.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mt -119.62 138.1 53.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 0.715 . . . . 10.0 109.354 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB1' ' CZ ' ' A' ' 69' ' ' PHE . . . -127.66 107.71 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -118.92 -40.74 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 10.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 120.72 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.91 168.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 10.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.86 -39.27 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.414 1.071 . . . . 10.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.35 113.33 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 10.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -135.51 139.26 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CZ ' ' HB1' ' A' ' 62' ' ' ALA . 15.9 m-85 -97.92 173.0 7.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.7 m -145.17 153.1 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 10.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.9 p -137.06 -179.79 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 10.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.4 m -143.01 138.56 30.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 10.0 110.46 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.801 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -111.89 98.72 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 10.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -39.36 24.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.99 53.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.572 1.827 . . . . 10.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.45 -138.56 3.76 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.397 1.061 . . . . 10.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -143.82 107.37 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.801 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 32.6 m-85 -87.54 151.73 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.3 m -126.25 143.56 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.415 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -152.86 157.19 40.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.407 1.067 . . . . 10.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -160.13 177.95 10.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.469 1.105 . . . . 10.0 111.02 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.34 110.42 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.1 mt-10 -88.55 -58.51 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 10.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 10.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.52 ' CD2' ' O ' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -33.86 123.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 10.0 109.624 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.52 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -45.68 118.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 1.054 . . . . 10.0 110.263 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.73 95.17 0.34 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.422 1.076 . . . . 10.0 110.978 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.28 -93.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 10.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.24 -126.76 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 10.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.6 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 25.9 mtt 57.2 161.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 10.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 91' ' ' MET . 35.9 m -155.71 125.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 10.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.66 135.16 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 10.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.89 161.65 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.71 153.0 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 10.0 109.308 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.61 112.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.608 1.193 . . . . 10.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.464 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -80.33 177.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 10.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' ILE . 21.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -85.85 156.49 20.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 10.0 109.394 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.421 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . -101.62 156.66 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 10.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -138.94 153.31 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.569 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.4 t -145.56 138.03 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -94.95 129.73 41.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.464 ' CE ' HD12 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.98 82.85 4.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 10.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.7 -155.42 16.24 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.486 1.116 . . . . 10.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -139.08 151.53 46.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 10.0 110.005 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.14 -59.0 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 10.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -63.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 10.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 88.81 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 10.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.06 150.43 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 0.722 . . . . 10.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mp -85.34 58.0 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.529 1.143 . . . . 10.0 109.355 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 m -136.49 166.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 10.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.602 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 29.1 m-85 -126.34 110.23 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.2 tt0 -127.18 128.36 24.12 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 10.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 141.48 71.91 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.073 -2.47 . . . . 10.0 110.966 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -44.45 43.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 10.0 109.959 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -113.91 133.56 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.21 167.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -99.2 150.77 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 110.456 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 HD13 ' CB ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -145.5 143.92 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' N ' HD12 ' A' ' 23' ' ' ILE . 8.9 mmtt -88.28 140.12 29.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 10.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.34 99.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.58 -26.87 4.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.405 1.066 . . . . 10.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CB ' HD13 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -74.36 -178.73 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 0.761 . . . . 10.0 110.314 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -133.53 171.58 13.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 70' ' ' THR . 2.4 t -126.62 161.13 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -124.99 120.68 32.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.569 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 8.3 m-90 -106.72 99.81 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.93 -1.137 . . . . 10.0 107.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.6 143.27 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 10.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -85.76 122.74 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -91.7 -77.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.37 178.91 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.52 70.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.38 1.05 . . . . 10.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.45 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 1.2 p -89.69 157.27 46.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 10.0 109.93 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.07 -169.57 7.49 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.987 -2.505 . . . . 10.0 110.963 0.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -156.71 92.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 10.0 109.616 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.62 138.14 32.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 10.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 HD12 ' CE ' ' A' ' 7' ' ' MET . 4.4 mt -119.1 65.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 10.0 109.327 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.74 129.83 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 10.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 5.6 m-85 -102.63 143.18 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.7 146.36 26.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 10.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.9 75.02 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 10.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.68 100.04 10.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.76 -28.95 6.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.97 168.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 10.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.65 170.1 6.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 10.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.22 -54.75 5.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 10.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.6 -38.01 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 10.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.9 m -61.54 -62.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 110.419 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -53.96 -22.31 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -63.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -57.25 -44.04 83.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -63.8 -29.42 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 10.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.05 147.24 40.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 10.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 18.9 m-70 -112.36 99.04 7.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.525 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -99.05 40.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.31 -132.53 6.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 10.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.94 130.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 10.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.43 151.61 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 10.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -160.1 -44.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.589 1.18 . . . . 10.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 119.23 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.71 91.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.39 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.89 -37.71 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 10.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.87 106.47 16.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 m -118.12 140.73 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 10.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.486 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.5 m-85 -94.31 169.37 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 10.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 28.2 m -145.69 148.41 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 110.402 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 10.9 p -138.68 154.16 48.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 10.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 4.0 m -121.32 119.49 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 10.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.9 m-85 -88.11 97.91 11.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -54.6 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 130.55 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 110.249 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 87.42 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 10.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.88 -143.59 4.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.58 1.175 . . . . 10.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -141.68 99.87 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.686 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.2 m-85 -83.3 147.57 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 10.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.3 m -132.8 148.9 52.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -144.96 153.43 41.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.604 1.19 . . . . 10.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -135.35 169.87 16.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 10.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.17 68.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.56 -51.89 63.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 10.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 65.12 6.13 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.422 1.749 . . . . 10.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.464 ' CD2' ' O ' ' A' ' 86' ' ' HIS . 9.6 t-160 -172.37 62.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 10.0 109.651 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.42 84.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 10.0 110.285 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.87 101.25 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.401 1.063 . . . . 10.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.25 -70.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 10.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.13 84.46 0.06 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.553 1.158 . . . . 10.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 3.4 mtm -128.11 128.83 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 0.758 . . . . 10.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -132.16 -93.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.504 ' N ' ' CG2' ' A' ' 92' ' ' VAL . . . 66.8 132.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 10.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.15 149.23 36.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.756 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.25 157.4 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.1 t -141.17 126.56 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 10.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.483 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.8 t -93.41 130.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 10.0 109.297 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -75.21 151.72 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.403 ' HB1' ' CG1' ' A' ' 21' ' ' VAL . . . -95.51 125.98 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 11.0 t -120.74 149.39 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.469 ' CG2' ' CG2' ' A' ' 21' ' ' VAL . 89.5 t -134.81 141.86 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.13 134.62 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 10.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 4.2 mtm -71.89 75.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 10.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.57 -138.94 13.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 10.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.11 159.21 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -53.45 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 -53.19 9.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 10.0 109.968 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.58 58.69 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 10.0 111.018 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.2 42.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 10.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -75.75 60.58 1.31 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 10.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 17.1 m -158.42 148.52 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 0.8 OUTLIER -114.79 132.63 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 10.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.0 mt-10 -137.37 139.95 29.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 10.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 132.46 27.64 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.938 -2.526 . . . . 10.0 111.027 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.8 p -63.08 -15.28 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 10.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -141.78 136.17 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 10.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 ' CG2' ' CG2' ' A' ' 5' ' ' VAL . 1.8 t -135.32 175.64 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.32 136.86 45.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 110.36 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -137.94 155.53 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 10.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.73 154.06 18.26 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.412 1.07 . . . . 10.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.91 101.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 10.0 109.37 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.24 -18.67 8.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.428 1.08 . . . . 10.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.03 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 0.746 . . . . 10.0 110.339 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' CA ' ' O ' ' A' ' 71' ' ' SER . 1.9 pm0 -129.99 177.39 7.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.1 t -133.24 155.77 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 10.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' O ' ' OG1' ' A' ' 4' ' ' THR . 5.5 ttmm -125.86 134.95 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 8.3 m-90 -124.04 99.65 6.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 33' ' ' ASN . 60.0 t -87.35 143.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -74.94 133.32 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -107.52 -68.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -173.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 67.4 62.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.468 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 6.2 p -85.53 153.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.05 -168.09 6.2 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.002 -2.499 . . . . 10.0 111.073 -0.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.16 140.91 23.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.498 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.05 135.88 22.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.498 HG23 ' CE1' ' A' ' 43' ' ' PHE . 2.3 mt -125.68 71.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.0 t -77.36 138.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -109.42 147.66 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.53 146.31 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 10.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.08 78.09 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -106.86 97.01 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.46 -25.64 12.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 10.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG12 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -96.39 152.85 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.59 155.76 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.497 1.123 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 -56.14 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 10.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -40.39 42.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.583 1.177 . . . . 10.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 m -64.05 -67.61 0.42 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.423 1.077 . . . . 10.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -44.15 -38.68 3.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 10.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.2 -58.72 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.35 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.632 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 2.2 mp -73.09 -4.94 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 10.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -91.73 133.45 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.042 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 12.4 m-70 -112.66 99.65 8.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 109.585 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -43.7 -32.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.01 131.47 7.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 10.0 111.01 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.99 41.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 10.0 109.225 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.33 110.73 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 55.8 m-85 -122.52 -64.26 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 10.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.93 141.89 34.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 10.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.72 86.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 10.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.74 -39.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.2 mt-10 -80.0 100.71 8.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.8 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 p -109.34 151.56 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 10.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.462 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.2 m-85 -104.52 172.25 6.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.8 m -143.76 154.22 43.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 110.397 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.4 t -145.42 148.74 33.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 10.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.2 m -123.2 127.78 49.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 10.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.727 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -104.5 99.06 8.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -36.76 29.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.378 1.049 . . . . 10.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.29 125.61 55.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 85.85 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.471 1.774 . . . . 10.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.69 -149.49 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.453 1.095 . . . . 10.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.65 0.853 . . . . 10.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.727 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 50.3 m-85 -82.16 159.14 23.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 10.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.5 m -121.68 151.07 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 10.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 1.8 p90 -168.61 157.44 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 10.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -173.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 10.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.8 92.88 4.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.42 -56.22 6.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 10.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.451 ' CG ' ' HE2' ' A' ' 91' ' ' MET . 0.1 OUTLIER -140.48 136.93 33.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 10.0 109.667 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -39.13 107.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 10.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' ARG . . . -37.25 96.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.435 1.084 . . . . 10.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . -128.68 -56.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 10.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.64 110.14 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 10.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.547 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 7.1 mtm -152.03 90.66 1.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 10.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -116.83 124.85 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.92 142.11 10.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 10.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -143.22 145.44 32.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.82 165.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 10.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.4 121.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.411 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 2.5 t -97.19 154.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . 16.9 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 10.0 109.369 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 172.01 13.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 10.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -111.73 105.2 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 10.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 t -98.45 162.65 13.05 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.439 1.087 . . . . 10.0 110.351 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 10.5 t -145.71 161.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 10.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 mttm -114.38 118.33 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.28 77.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.83 -152.6 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.044 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.426 ' N ' HD22 ' A' ' 34' ' ' ASN . 2.7 t -133.68 163.88 28.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 10.0 110.062 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.7 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 10.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -61.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 10.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.68 69.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 10.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.48 160.52 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 0.78 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.55 -54.44 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 10.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -46.69 121.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 10.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 5.1 m-85 -74.91 143.51 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -140.19 133.77 15.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 10.0 110.206 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.97 133.8 33.07 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.047 -2.481 . . . . 10.0 110.98 -0.051 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 28.7 p -51.39 -52.02 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.5 m -105.96 133.61 50.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 10.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 13.8 m -140.27 145.1 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 3' ' ' ALA . 2.0 m -82.86 150.6 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 10.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.15 136.97 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 10.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.445 ' N ' HD11 ' A' ' 23' ' ' ILE . 12.0 mmtp -78.13 145.37 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.78 99.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.42 4.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.165 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.05 -179.06 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 10.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 2.1 pm0 -125.47 175.36 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.521 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 1.5 t -123.76 161.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 10.0 109.307 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -133.47 113.58 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.521 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 12.3 m-90 -101.39 99.41 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 10.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 134.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 10.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -90.67 131.27 36.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 10.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' ' 9' ' ' SER . 6.3 p-10 -106.12 -51.29 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.48 1.113 . . . . 10.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -164.29 -174.81 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.366 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.7 mm? 67.66 69.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.207 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.48 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 54.9 p -95.56 150.55 37.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 10.0 109.957 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 18.0 Cg_endo -75.06 -171.18 9.04 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.935 0.011 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -150.45 79.04 1.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 10.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -85.74 139.28 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 10.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.51 72.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 10.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -80.13 143.06 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 10.0 109.243 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 6.2 m-85 -118.19 130.39 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 10.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.13 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.96 80.57 2.75 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.541 1.151 . . . . 10.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.74 -72.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 10.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.1 13.28 67.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.092 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.431 HG13 ' CZ ' ' A' ' 79' ' ' TYR . 2.5 t -135.48 163.32 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 10.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -68.87 175.4 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 10.0 109.225 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.64 -61.1 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -42.8 -55.91 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 10.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.2 m -54.86 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 10.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -65.85 -55.89 14.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 10.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.87 -28.83 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 10.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.591 1.182 . . . . 10.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.9 t -78.23 139.59 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 10.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.2 m-70 -108.43 99.65 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -102.43 25.78 8.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 10.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.87 -30.78 8.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 10.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.9 tp 63.79 122.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 10.0 109.232 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -104.35 157.8 16.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -158.76 -47.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.64 112.57 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 10.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 149.29 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.9 -37.76 3.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 10.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.29 128.4 35.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 10.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.59 133.11 37.96 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.153 . . . . 10.0 110.081 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.547 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 9.6 m-85 -90.66 178.02 6.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.6 m -145.35 151.11 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 10.0 110.338 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.504 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 9.3 t -142.36 145.08 33.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 m -115.0 123.96 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 10.0 110.307 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.745 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -101.35 98.72 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 10.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -38.88 25.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 10.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.12 125.73 47.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 10.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 94.84 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 10.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.31 -137.36 3.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.577 1.173 . . . . 10.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -145.2 99.77 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 10.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.745 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 77.4 m-85 -86.02 137.45 32.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 10.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -117.04 147.75 42.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -151.36 153.28 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 10.0 111.077 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 4.2 p90 -145.8 155.45 42.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -94.51 111.31 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 10.0 108.305 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -82.37 -58.11 0.46 Allowed Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.577 1.173 . . . . 10.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.99 71.01 5.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 10.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.52 ' CG ' ' HE3' ' A' ' 91' ' ' MET . 0.1 OUTLIER -124.22 167.22 14.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 10.0 109.653 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -40.07 -55.07 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 110.236 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.14 65.0 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.66 -78.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 132.6 3.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.524 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 1.4 ptp -125.57 166.27 17.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 0.743 . . . . 10.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.67 176.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.46 125.72 2.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 10.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -145.28 167.35 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 10.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.66 153.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.8 t -135.74 119.46 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 10.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.45 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 3.4 t -106.63 138.23 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 10.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -79.41 148.5 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 10.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.482 ' HB3' ' CG2' ' A' ' 21' ' ' VAL . . . -137.12 138.02 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 0.7 OUTLIER -144.39 155.45 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.065 . . . . 10.0 110.381 -179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -138.56 140.94 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 10.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -87.58 15.43 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.474 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 23.7 mtt 64.72 -70.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -96.44 -130.94 6.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 164.18 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 10.0 109.973 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -51.6 69.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.396 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -54.39 -58.52 7.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.29 92.27 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 10.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -157.02 153.87 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 10.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 86' ' ' HIS . 0.4 OUTLIER -75.53 56.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 7' ' ' MET . 15.9 m -116.38 179.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.599 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.5 OUTLIER -146.2 115.95 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 10.0 111.025 -179.926 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.6 mt-10 -145.34 135.55 11.9 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 10.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 137.44 50.35 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.982 -2.507 . . . . 10.0 110.96 -0.007 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -53.44 -38.43 63.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 10.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -123.79 135.88 54.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 10.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 3' ' ' ALA . 25.4 m -128.43 149.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.4 137.21 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 10.0 110.381 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.443 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.25 156.6 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.431 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.75 157.42 17.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 10.0 109.282 -179.874 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 82.68 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.6 -29.88 0.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 10.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -178.16 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 10.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.78 169.79 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.616 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.0 t -115.91 161.78 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -131.58 120.54 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.616 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 20.5 m-90 -110.88 98.54 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.118 . . . . 10.0 108.053 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.401 ' O ' ' SD ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -82.68 139.61 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 10.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 24.0 m-20 -78.4 100.69 6.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -81.08 -66.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 10.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.98 -156.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.77 70.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.539 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -117.83 163.12 25.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 10.0 110.114 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.06 167.99 78.79 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.999 0.036 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -178.63 140.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.59 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -127.67 176.19 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.474 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 6.4 mt -129.51 75.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 10.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 ' ND2' ' A' ' 40' ' ' ASN . 18.2 t -80.28 135.47 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 10.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.2 m-85 -106.85 143.41 34.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.26 142.82 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.38 79.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 10.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -102.28 101.35 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.42 -28.45 7.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -88.4 170.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.777 . . . . 10.0 109.244 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.68 147.35 39.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 1.162 . . . . 10.0 109.36 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -65.82 -59.02 4.29 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.526 1.141 . . . . 10.0 109.299 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 1.6 m-20 -39.83 -63.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -47.99 -56.74 6.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 10.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.95 -23.86 34.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -69.43 -34.28 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -10.18 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.591 HD12 ' CD1' ' A' ' 73' ' ' PHE . 7.2 mt -110.69 -6.36 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.5 t -94.07 113.91 25.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 10.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.69 105.43 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 10.0 109.632 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -41.03 75.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 10.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.486 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 147.92 -143.1 10.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.428 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER 82.87 30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.272 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HA ' ' ND2' ' A' ' 33' ' ' ASN . . . -117.72 115.51 25.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 10.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -164.02 -41.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.75 104.94 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.58 112.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 10.0 109.38 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.52 -51.75 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 10.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 48.2 mt-10 -74.87 105.71 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 10.0 110.215 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m -108.12 143.0 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 10.0 110.023 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -97.71 169.3 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.9 m -145.52 146.59 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 10.0 110.425 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.423 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . 4.8 p -145.57 126.63 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 10.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -105.34 135.44 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.317 1.01 . . . . 10.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 53.9 m-85 -113.64 99.55 7.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 10.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -88.31 -4.21 58.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 10.0 110.329 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -117.81 135.16 23.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 136.19 19.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 10.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.71 -176.55 35.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.423 1.077 . . . . 10.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.4 m -117.32 128.65 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 10.0 110.461 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 80.2 m-85 -109.93 162.79 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.5 m -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.408 1.068 . . . . 10.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.519 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 37.5 p90 -135.62 134.31 39.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -118.49 132.12 56.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.599 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 7.2 t -103.08 85.48 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 10.0 108.278 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.499 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.6 mm-40 -81.2 -57.25 0.57 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 10.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 76.51 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 10.0 111.031 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -167.94 56.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 10.0 109.649 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 83.72 -60.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 10.0 110.341 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.66 123.01 5.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.08 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -165.76 -44.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 10.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.74 78.34 0.09 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.44 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 ttt -126.21 124.1 39.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 10.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.559 HG23 ' CE2' ' A' ' 16' ' ' PHE . 11.5 m -141.26 -153.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 10.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.519 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . 149.41 148.0 4.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -137.12 144.97 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 10.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -114.04 157.37 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 10.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 88.3 t -128.97 126.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.443 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -117.09 120.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 -179.984 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.19 179.1 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 10.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 29' ' ' VAL . . . -145.03 104.26 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 10.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 4.6 t -116.65 153.8 31.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 10.0 110.356 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.2 t -143.53 102.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE3' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -59.28 145.49 42.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 10.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.3 mtt -81.21 77.15 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -135.38 9.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 10.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 5.7 m -145.27 151.2 37.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 0.8 . . . . 10.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -51.2 56.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 10.0 109.25 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -62.35 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 10.0 109.96 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.4 69.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.09 143.97 48.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 10.0 109.242 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.97 7.51 20.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 10.0 109.249 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -93.35 139.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CD1' ' HE3' ' A' ' 91' ' ' MET . 14.2 m-85 -79.22 108.11 12.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.6 tt0 -117.84 132.09 23.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 10.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 168.42 77.48 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 p -84.95 -33.47 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -127.3 132.75 50.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -135.35 140.21 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.21 -179.905 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.33 127.04 37.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 10.0 110.436 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 4.6 tt -127.91 156.56 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -99.81 165.56 11.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 10.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 79.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.58 -21.06 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.417 1.073 . . . . 10.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 4.8 mm-40 -74.64 168.87 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 0.723 . . . . 10.0 110.269 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -121.77 158.01 29.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 10.0 110.34 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.628 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 8.5 t -112.89 160.0 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.395 1.06 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 3.9 ttpt -139.77 112.6 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.628 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 18.4 m-90 -100.31 99.74 10.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 10.0 108.048 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -90.68 132.58 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.085 . . . . 10.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -79.82 101.31 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' SER . 31.4 t30 -74.44 -41.01 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 10.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 172.51 -163.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 66.23 59.5 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 10.0 109.213 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.482 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.07 151.25 51.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.412 1.07 . . . . 10.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.93 -166.54 4.94 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.025 -2.49 . . . . 10.0 111.024 -0.065 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -157.67 155.78 30.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 10.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 39' ' ' HIS . 11.6 m-80 -158.32 137.32 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 10.0 109.388 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.529 HG23 ' CE1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -119.21 71.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 t -82.86 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 10.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CE1' HG23 ' A' ' 41' ' ' ILE . 4.2 m-85 -108.38 131.85 54.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.77 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -106.08 80.78 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 10.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.1 -68.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 10.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.29 16.54 60.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.09 . . . . 10.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.544 HG13 ' CE2' ' A' ' 79' ' ' TYR . 16.5 t -139.08 169.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.549 0.793 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.12 155.79 37.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 10.0 109.24 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -80.69 -50.61 9.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.31 -64.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 10.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 m -51.34 -41.06 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 10.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -67.39 -23.63 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -72.19 -26.8 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 10.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -14.41 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.664 ' CD2' ' CZ ' ' A' ' 73' ' ' PHE . 6.2 mt -106.58 -9.56 16.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 10.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 15.8 t -89.94 114.97 26.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 10.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 20.2 m-70 -89.99 103.29 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 10.0 109.522 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.2 35.62 2.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -99.78 -142.55 13.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 10.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.37 119.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 10.0 109.328 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.78 128.12 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 10.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 22.9 p90 -141.81 -46.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . . . -74.79 111.82 10.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' ALA . . . -40.4 138.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.5 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 10.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.27 111.76 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 10.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.4 p -135.9 162.49 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 10.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.455 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 26.5 m-85 -123.72 173.21 8.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 10.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 45.0 m -137.31 149.47 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 10.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 p -145.92 126.67 14.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 10.0 109.982 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -100.65 147.91 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 10.0 110.418 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.72 ' CD1' ' CE1' ' A' ' 79' ' ' TYR . 58.7 m-85 -129.88 99.19 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.19 . . . . 10.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -13.26 51.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.26 140.0 26.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 10.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 147.65 34.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 10.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.19 172.36 25.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 10.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -110.03 107.56 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.72 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 93.5 m-85 -93.82 154.3 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.6 m -131.25 154.19 48.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 10.0 110.355 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 52.8 p90 -150.48 143.27 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 10.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -123.42 -176.8 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 10.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -128.8 129.02 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 108.316 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -77.57 -52.55 1.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.93 60.92 5.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 10.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -158.27 109.31 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.077 . . . . 10.0 109.578 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -40.11 -47.79 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.12 70.95 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 10.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.79 22.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 10.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.91 59.39 0.07 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 10.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.571 ' HE3' ' CD1' ' A' ' 16' ' ' PHE . 4.0 ttt -126.17 123.89 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 10.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.6 t -149.54 -81.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 70.89 125.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 10.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.35 146.49 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 10.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.8 t -100.87 165.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.1 t -144.38 112.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -93.72 135.73 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.29 179.984 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.1 178.07 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -144.86 105.9 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 10.0 109.303 -179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -116.88 148.25 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.72 117.07 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 10.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -69.92 86.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.421 ' SD ' ' CE1' ' A' ' 39' ' ' HIS . 1.0 OUTLIER -60.47 83.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 10.0 110.966 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 130.1 112.14 1.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 10.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.6 m -75.34 139.99 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 0.718 . . . . 10.0 110.0 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -43.18 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -32.18 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 10.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.26 46.82 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 10.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.71 141.46 37.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 10.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.668 ' CD1' ' CD2' ' A' ' 86' ' ' HIS . 4.4 mm? -75.17 -28.82 60.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -76.48 168.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 10.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -118.85 155.9 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 10.0 110.999 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -145.66 129.11 8.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.11 157.62 99.39 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.938 -2.526 . . . . 10.0 110.925 0.101 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -74.62 -32.88 62.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -127.34 140.87 51.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 10.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.4 m -137.6 138.99 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.75 128.18 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -123.07 172.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 1.7 mttt -112.9 162.21 16.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 109.208 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.89 76.9 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 10.0 109.22 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.95 -18.74 1.41 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.147 . . . . 10.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -74.99 176.96 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 0.777 . . . . 10.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.59 165.1 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 10.0 110.372 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 2.5 t -127.52 146.08 33.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.533 1.146 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 120.69 32.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 10.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.488 ' CH2' ' HZ ' ' A' ' 43' ' ' PHE . 6.9 m-90 -106.31 99.8 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.03 130.79 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 10.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.59 101.54 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 10.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -80.55 -67.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 10.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.03 -162.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 10.0 109.375 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mm? 68.04 70.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.239 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.457 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.2 m -126.26 157.9 68.53 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.05 167.97 78.85 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.991 -2.504 . . . . 10.0 110.958 0.071 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -178.79 155.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 10.0 109.532 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 p30 -140.33 172.49 12.66 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.415 1.072 . . . . 10.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.22 79.13 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.381 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 45.9 t -80.11 132.84 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-85 -105.0 125.18 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 10.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.63 154.89 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.85 76.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 10.0 109.211 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.56 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.11 5.7 75.19 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.42 1.075 . . . . 10.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.0 165.61 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.8 160.04 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.14 -59.93 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -44.02 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 109.359 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.76 -53.2 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 10.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -56.05 -28.4 57.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 10.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -62.55 -52.82 61.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 10.0 109.191 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.94 99.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 109.294 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.725 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -77.33 -4.97 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -93.98 114.74 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 10.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 9.9 m-70 -88.45 102.23 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -124.59 40.29 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.87 -27.58 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.84 109.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 10.0 109.257 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -105.97 158.29 16.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 10.0 109.252 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.87 -43.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 10.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 114.05 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.76 167.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.2 -39.32 3.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.468 1.105 . . . . 10.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.77 101.79 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 10.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.57 128.86 55.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 10.0 110.037 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.457 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 38.8 m-85 -82.53 173.64 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.6 m -140.93 158.58 43.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 110.419 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.3 p -145.92 173.31 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 10.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.2 m -146.23 122.14 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 10.0 110.377 -179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.0 m-85 -101.77 98.71 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.41 -58.89 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.615 1.197 . . . . 10.0 110.404 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -69.43 131.14 90.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 10.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 85.41 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 10.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.99 -147.8 5.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.434 1.084 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.9 m -142.28 116.25 9.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 0.754 . . . . 10.0 110.476 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 14.7 m-85 -92.09 158.98 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.8 m -142.89 151.08 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 110.415 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 9.1 p90 -148.33 179.53 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 10.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 12.7 p90 -153.78 -177.11 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.6 t -149.85 106.89 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 108.315 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.4 mt-10 -74.7 -55.85 2.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.08 70.76 5.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 10.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 1.046 ' ND1' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -146.24 47.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.559 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 40.31 43.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 110.217 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 76.24 0.14 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.496 1.123 . . . . 10.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.58 -33.25 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 10.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' MET . . . 102.05 -76.52 0.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.563 1.164 . . . . 10.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.046 ' SD ' ' ND1' ' A' ' 86' ' ' HIS . 13.1 ptm 36.11 89.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 10.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.82 -65.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 60.42 127.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.71 168.86 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 0.723 . . . . 10.0 109.277 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.8 t -129.59 159.41 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 10.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -138.0 136.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.38 1.05 . . . . 10.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.8 t -106.92 117.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 10.0 109.285 179.981 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -177.97 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 10.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 102.71 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 10.0 109.261 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 t -108.75 159.69 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 10.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -144.72 114.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 10.0 109.32 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -58.65 103.82 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 10.0 109.222 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.529 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.9 mtm -57.71 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 10.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.453 ' CA ' ' HA ' ' A' ' 13' ' ' ALA . . . 96.24 144.65 17.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 10.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.407 ' N ' ' HA ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -75.93 154.85 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 10.0 110.011 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -27.88 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -51.79 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.899 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.502 ' O ' ' CD2' ' A' ' 36' ' ' LEU . . . -112.67 -20.5 6.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 10.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HA ' ' CA ' ' A' ' 8' ' ' GLY . . . 73.49 85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 91' ' ' MET . 9.7 tp -125.66 -58.74 1.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.142 . . . . 10.0 109.247 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -91.86 156.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 10.0 109.264 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 7' ' ' MET . 22.5 m-85 -93.11 119.64 32.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.66 135.77 27.39 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 10.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.94 133.1 29.87 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.007 -2.497 . . . . 10.0 111.04 -0.062 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.446 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.6 p -50.9 -53.76 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 110.064 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 136.52 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 10.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.481 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 35.9 m -145.08 138.24 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.19 123.29 39.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.547 HD12 ' CG ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -124.55 162.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' N ' ' CG1' ' A' ' 23' ' ' ILE . 3.3 mmtt -82.14 159.71 23.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 10.0 109.217 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.37 66.74 8.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 10.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 172.19 -31.73 0.12 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.431 1.082 . . . . 10.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -73.81 170.11 15.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 10.0 110.275 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.54 174.52 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 110.239 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.604 HG12 ' CE3' ' A' ' 31' ' ' TRP . 3.0 t -122.35 138.65 51.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -113.89 116.02 28.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.604 ' CE3' HG12 ' A' ' 29' ' ' VAL . 10.5 m-90 -100.19 99.82 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.37 129.59 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.08 129.62 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.235 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 22.2 p-10 -96.82 -49.3 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 109.357 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -162.13 -175.8 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.2 OUTLIER 64.95 70.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -99.85 153.84 37.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.472 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.94 -167.96 6.06 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.135 -2.444 . . . . 10.0 110.945 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.1 m-70 -150.05 108.47 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.646 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -100.98 142.94 31.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 10.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.504 ' O ' ' CE1' ' A' ' 43' ' ' PHE . 9.5 mt -131.97 62.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 10.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.95 130.88 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.9 m-85 -100.57 156.2 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 111.043 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.436 ' CB ' ' OH ' ' A' ' 82' ' ' TYR . . . -120.68 156.11 32.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 10.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.6 65.78 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.61 76.86 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 10.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.58 -23.83 34.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 10.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.6 t -90.67 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 10.0 109.333 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.08 163.36 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.91 -53.66 9.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 10.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.457 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.11 -51.32 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 109.192 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -52.2 -53.01 48.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.3 -18.55 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -73.29 -41.5 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -36.2 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -84.71 -4.09 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 10.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.57 127.38 34.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.971 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 10.9 m170 -97.78 101.24 12.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 10.0 109.567 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -110.43 22.27 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 10.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 -44.8 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.626 1.204 . . . . 10.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.24 118.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -95.08 131.5 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 37' ' ' SER . 77.2 m-85 -104.06 -43.08 5.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.18 141.43 30.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 10.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.79 56.87 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 -42.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.526 1.141 . . . . 10.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.37 138.14 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 10.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.34 128.41 37.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 49.1 m-85 -76.98 175.91 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.6 m -145.35 144.31 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.3 p -145.52 126.36 14.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -83.73 137.11 33.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 10.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CE2' HG11 ' A' ' 95' ' ' VAL . 2.9 m-85 -110.54 97.65 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 10.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -40.89 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 10.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -77.82 117.69 67.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 110.273 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 86.24 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.589 1.836 . . . . 10.0 110.94 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.86 -137.86 2.98 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.502 1.126 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 20.1 m -145.13 126.97 15.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 0.809 . . . . 10.0 110.374 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.522 ' CE2' HD21 ' A' ' 56' ' ' LEU . 55.2 m-85 -109.21 156.82 19.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 10.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 m -143.78 147.03 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.78 178.86 7.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -146.51 -168.69 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 10.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.51 88.49 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 10.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -76.49 -56.77 1.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 10.0 110.232 -179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.04 55.29 3.92 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.481 1.78 . . . . 10.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 87' ' ' ARG . 7.1 t60 -133.84 -49.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.603 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 158.43 157.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.609 1.193 . . . . 10.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.4 52.63 4.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 10.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.64 -39.83 4.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 10.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.77 164.07 17.44 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.488 1.118 . . . . 10.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.506 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -165.97 126.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 10.0 110.971 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.8 t -114.73 170.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 10.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 132.96 133.05 3.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 10.0 110.967 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 155.82 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 10.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -105.09 155.5 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 10.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.6 t -142.07 118.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.39 170.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 23' ' ' ILE . 22.5 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -81.0 146.92 30.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 10.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -86.93 147.83 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -147.01 158.77 44.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 77.2 t -145.28 134.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 10.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -85.5 49.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.445 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 34.1 mtt 35.13 -95.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 10.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -68.84 -145.32 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.361 1.038 . . . . 10.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 6.2 m -137.56 152.21 49.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 10.0 110.01 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -72.85 -29.46 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 10.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -86.66 46.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 10.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.59 54.76 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.53 1.144 . . . . 10.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.14 149.89 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.247 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.548 ' CD2' ' CD2' ' A' ' 86' ' ' HIS . 5.0 mp -82.34 -49.63 9.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 14' ' ' LEU . 23.9 m -39.86 142.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 10.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 61.7 m-85 -75.0 135.01 41.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 10.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -137.76 120.3 11.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 10.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.03 140.96 70.23 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 121.009 -2.496 . . . . 10.0 110.991 -0.028 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p -58.97 -49.21 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -108.38 142.54 38.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 10.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.29 138.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.92 138.66 31.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.436 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.505 HG23 ' CD2' ' A' ' 73' ' ' PHE . 8.6 tt -142.88 160.14 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.77 166.11 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 10.0 109.215 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.52 83.77 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 10.0 109.221 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 146.16 -18.72 1.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 10.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 1' ' ' ALA . 5.8 mt-10 -74.69 -178.9 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.611 0.83 . . . . 10.0 110.272 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.41 170.08 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 10.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.59 HG12 ' CZ3' ' A' ' 31' ' ' TRP . 7.2 t -130.26 135.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -111.96 127.57 55.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 8.6 m-90 -115.88 100.04 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 10.0 108.017 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 10.0 109.198 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -75.19 134.1 41.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 10.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 9' ' ' SER . 4.7 t-20 -115.67 -64.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 10.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.25 -149.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 10.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 50.19 69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.367 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.594 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -118.05 165.73 15.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 10.0 109.968 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.594 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 168.7 76.62 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.493 . . . . 10.0 110.979 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER 179.21 -177.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 109.571 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.486 ' OD1' ' CG2' ' A' ' 42' ' ' VAL . 20.9 p30 -173.2 -177.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 10.0 109.24 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.578 HG22 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -126.87 77.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.617 1.198 . . . . 10.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' CG2' ' OD1' ' A' ' 40' ' ' ASN . 89.4 t -86.19 128.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.1 m-85 -105.11 135.2 46.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 10.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.52 166.89 10.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 10.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.57 73.27 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -103.33 88.72 3.18 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.501 1.125 . . . . 10.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 -32.42 6.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 10.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 79' ' ' TYR . 8.5 t -88.0 168.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 10.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.16 162.98 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.73 -61.44 1.78 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 10.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.26 -47.0 46.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -53.73 -66.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 10.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.16 -25.61 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -51.45 60.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -47.61 82.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD23 ' CD1' ' A' ' 73' ' ' PHE . 6.4 mp -68.55 -17.38 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.183 . . . . 10.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.4 t -82.34 132.88 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 10.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 17.6 m-70 -107.32 100.22 9.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 10.0 109.548 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -106.5 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 10.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.04 -31.59 5.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 10.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.77 141.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 10.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -124.39 167.84 13.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.408 1.068 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 28.4 m-85 -160.68 -51.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 10.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.35 130.17 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.05 95.31 0.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 10.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.34 -40.47 0.33 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.557 1.161 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -74.86 100.71 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 10.0 110.255 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.1 p -110.02 155.75 21.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 10.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 15.4 m-85 -112.64 172.83 6.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -145.04 148.14 33.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.461 1.101 . . . . 10.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.6 p -145.14 143.46 30.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.6 m -100.61 130.29 46.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.578 ' CD1' HD23 ' A' ' 56' ' ' LEU . 3.1 m-85 -101.9 98.46 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 10.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -94.8 -48.23 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 10.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 118.78 70.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 10.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 10.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.79 -145.98 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 10.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 m -134.0 127.33 32.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 10.0 110.461 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' HD21 ' A' ' 56' ' ' LEU . 66.5 m-85 -107.93 153.77 22.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -135.72 139.67 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.578 ' CD1' HG22 ' A' ' 41' ' ' ILE . 7.5 p90 -141.68 170.34 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -177.68 160.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 1.079 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -122.4 158.79 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 10.0 108.334 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.28 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 10.0 110.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -75.0 59.84 5.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 10.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.62 -88.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 10.0 109.559 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -68.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 10.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -52.7 -102.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 10.0 111.034 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.76 -57.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 10.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.27 -132.4 4.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 10.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 1.079 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 2.9 ttt 176.37 90.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 10.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 m -67.29 136.36 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.86 121.86 1.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 10.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -136.75 176.55 8.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 10.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 73' ' ' PHE . 1.5 t -126.65 153.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.2 t -134.02 113.52 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 10.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.438 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.0 t -75.86 154.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.17 169.81 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.21 161.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 10.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -145.01 150.08 36.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 10.0 110.431 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.91 125.85 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -80.18 120.8 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 10.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.419 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 1.2 mtm -62.06 105.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.056 . . . . 10.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.7 -141.31 15.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' CB ' ' A' ' 13' ' ' ALA . 3.5 m -144.31 151.88 39.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 10.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -57.63 -56.16 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 10.0 109.389 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -47.77 -52.14 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.44 68.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 10.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 9' ' ' SER . . . -123.25 -174.33 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 10.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' CE ' ' A' ' 91' ' ' MET . 4.3 mm? -113.09 -52.31 2.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.6 m -40.09 139.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.656 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 17.5 m-85 -81.71 124.7 29.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 10.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -130.27 127.4 22.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 10.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.0 Cg_endo -75.0 137.38 50.01 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.016 -2.493 . . . . 10.0 110.949 0.012 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -61.69 -41.78 98.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 10.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.2 m -116.7 137.83 51.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 10.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 25.6 m -140.93 159.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 10.0 109.211 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.86 138.54 33.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' CG2' HG23 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.53 158.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.42 156.06 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.97 93.23 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.623 1.202 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 135.81 -28.81 2.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.52 -179.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 10.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.3 pt-20 -135.31 178.45 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 10.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.564 HG11 ' CE3' ' A' ' 31' ' ' TRP . 1.6 t -129.26 163.72 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.485 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 4.4 ttmt -130.78 113.99 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.564 ' CE3' HG11 ' A' ' 29' ' ' VAL . 20.3 m-90 -99.03 99.67 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 10.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 143.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.458 ' OD1' ' CB ' ' A' ' 62' ' ' ALA . 1.9 m120 -81.67 126.85 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 10.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' MET . 3.1 t30 -100.39 -56.66 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -177.4 -170.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 mm? 65.72 70.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 10.0 109.357 -179.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 15.4 p -92.51 149.53 38.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 10.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 -167.35 5.56 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.072 -2.47 . . . . 10.0 110.959 0.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.73 111.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 10.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -113.97 152.37 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 10.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.43 70.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.76 129.11 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 10.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.468 ' CG ' ' HB3' ' A' ' 81' ' ' TYR . 4.8 m-85 -102.55 126.55 49.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 10.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.46 154.26 21.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 10.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.99 79.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 10.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -100.14 -65.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 10.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.82 8.89 61.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.512 HG13 ' CE2' ' A' ' 79' ' ' TYR . 7.2 t -131.3 160.21 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.08 159.46 5.77 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.619 1.199 . . . . 10.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.74 -52.69 23.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 10.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 54' ' ' ALA . 1.4 m-20 -55.38 -61.88 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 10.0 109.248 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.4 m -43.87 -52.54 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 10.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.72 -36.55 69.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 10.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -66.68 -19.12 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -41.52 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -82.23 -14.61 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.01 143.8 43.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.999 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.4 m-70 -114.1 99.24 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 10.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -98.0 40.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.18 -133.05 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 10.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.62 118.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 10.0 109.287 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . . . -118.76 148.74 42.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 10.0 109.281 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 12.4 p90 -162.98 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.9 116.99 24.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.51 105.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.383 1.052 . . . . 10.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.64 -37.41 0.62 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.471 1.107 . . . . 10.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.5 100.18 10.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.375 0.691 . . . . 10.0 110.215 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 m -116.85 145.84 43.29 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 10.0 110.037 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -104.54 174.58 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 10.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 m -145.42 148.9 33.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 1.054 . . . . 10.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -142.95 138.45 30.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 10.0 110.01 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 2.5 m -107.94 125.71 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 10.0 110.415 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.711 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 9.3 m-85 -93.65 98.23 11.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 10.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -89.78 -22.21 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 10.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.24 123.66 41.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.387 1.73 . . . . 10.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.51 -151.54 5.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.568 1.167 . . . . 10.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 m -130.32 99.75 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 0.81 . . . . 10.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.711 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 72.9 m-85 -80.06 147.27 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.2 m -128.48 147.93 50.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.578 1.174 . . . . 10.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' PHE . 24.6 p90 -160.05 174.99 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.404 ' CE1' ' OE1' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -165.45 -169.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -107.81 106.87 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 108.314 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -64.08 -52.17 57.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 10.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.0 171.6 18.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 10.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.608 ' CD2' ' O ' ' A' ' 86' ' ' HIS . 0.4 OUTLIER 56.92 108.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 10.0 109.626 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -94.61 -175.75 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 10.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 50.67 58.36 9.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 10.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 170.66 101.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.04 145.27 19.79 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.56 1.163 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.656 ' CE ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -123.22 -47.03 2.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 0.774 . . . . 10.0 111.031 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 79.6 t 63.29 -103.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.454 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . 60.94 132.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.441 1.088 . . . . 10.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.37 162.7 34.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 0.707 . . . . 10.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 t -116.83 153.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 123.37 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.506 1.129 . . . . 10.0 109.247 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.487 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -95.0 158.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 10.0 109.268 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.434 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 2.1 p30 -74.7 148.03 40.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 10.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.19 119.84 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 10.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -118.43 155.02 31.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 110.417 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -138.38 152.6 25.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.65 1.219 . . . . 10.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -108.13 113.09 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 10.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.451 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 7.6 mtt -44.68 128.88 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 10.0 110.972 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.05 -136.1 28.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.9 159.38 43.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -53.31 -48.77 68.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 10.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -60.4 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 10.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.21 79.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 10.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.75 161.88 32.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CE ' ' A' ' 91' ' ' MET . 3.9 mm? -77.85 -55.01 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 m -58.72 121.38 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.522 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -74.67 153.65 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 10.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.3 mp0 -146.87 130.73 8.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 10.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 158.18 99.15 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.018 -2.492 . . . . 10.0 111.045 0.087 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -86.94 -29.59 21.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 10.0 110.063 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.0 m -125.2 128.8 48.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.433 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -130.68 160.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 p -89.41 144.54 25.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 10.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.5 OUTLIER -145.61 158.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 10.0 109.267 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -103.96 156.32 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 10.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.86 101.68 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 10.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.21 -21.66 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 10.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.65 -179.53 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 10.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -131.82 176.04 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 10.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.567 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -131.49 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -125.49 125.59 43.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.239 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.567 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 17.4 m-90 -113.75 99.59 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -92.95 143.87 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 10.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -90.48 122.7 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 10.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -91.95 -66.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -174.71 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.0 mp 63.45 69.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 10.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.451 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -101.23 159.49 29.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 10.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.93 -171.23 9.08 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.072 -2.47 . . . . 10.0 111.056 -0.146 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.51 138.3 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 10.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' C ' ' CG1' ' A' ' 41' ' ' ILE . 9.2 t30 -127.45 170.92 12.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 4.2 mt -149.62 73.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 10.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 t -82.67 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' A' ' 41' ' ' ILE . 4.6 m-85 -105.52 125.96 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.43 164.68 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.331 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.6 75.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 10.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -98.14 94.56 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.554 1.159 . . . . 10.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.9 -35.91 3.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.43 1.081 . . . . 10.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.22 160.42 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 10.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 155.34 12.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 10.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.66 -55.23 8.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -54.42 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 10.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -51.73 -55.77 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.073 . . . . 10.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.91 -33.02 35.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.37 -43.19 95.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 10.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -40.41 77.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.587 HD12 ' CE2' ' A' ' 79' ' ' TYR . 9.6 mt -81.97 -3.48 54.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.244 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 8.8 t -93.31 130.76 38.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 10.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 6.9 m-70 -95.33 100.91 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 10.0 109.564 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.74 -33.4 25.08 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.4 125.17 8.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.368 1.043 . . . . 10.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.12 154.26 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 10.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.53 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 10.0 109.393 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -124.28 -56.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 10.0 110.966 -179.862 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.63 126.48 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 10.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.18 86.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.1 -34.42 0.09 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 10.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.92 105.41 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.372 0.69 . . . . 10.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 p -108.5 148.6 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 10.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -99.44 172.48 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.103 . . . . 10.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 m -145.71 147.58 32.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 10.0 110.343 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 4.5 p -144.82 150.25 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 10.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 6.9 m -116.74 137.36 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 110.338 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 7.1 m-85 -107.36 98.06 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 10.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -44.85 17.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 10.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.44 124.1 73.98 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 10.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.43 1.753 . . . . 10.0 110.977 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.58 -152.88 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 10.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 104.79 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 10.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.7 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.4 m-85 -85.43 156.56 20.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 10.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.5 m -137.37 146.05 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 81' ' ' TYR . 11.5 p90 -155.29 168.49 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.95 -148.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 t -151.03 36.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 10.0 108.342 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 56.94 161.1 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 10.0 110.395 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 65.18 6.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.449 1.763 . . . . 10.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -85.29 170.95 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.605 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 ttm-85 -43.84 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 110.354 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 89' ' ' ALA . . . 130.35 -125.37 4.61 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.109 . . . . 10.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 88' ' ' GLY . . . 165.01 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.588 0.817 . . . . 10.0 109.276 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.07 112.11 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 10.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 179.84 66.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 10.0 111.014 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.7 m -102.57 123.45 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 10.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.522 ' HA3' ' CE1' ' A' ' 16' ' ' PHE . . . -147.22 146.98 17.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.158 . . . . 10.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.66 43.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 10.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.14 153.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.26 122.81 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 10.0 109.375 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.8 t -96.09 99.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.305 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.185 . . . . 10.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -144.5 172.57 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.19 104.79 14.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 10.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -108.52 160.57 15.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 10.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 26.4 t -145.38 163.68 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 10.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -104.75 125.77 51.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 10.0 109.318 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 39' ' ' HIS . 5.5 mtm -61.2 -85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.26 166.9 54.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -109.89 151.16 27.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 10.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -43.85 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 10.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -59.03 -46.17 88.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.27 60.34 0.39 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.35 174.65 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 0.705 . . . . 10.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD23 ' CD2' ' A' ' 86' ' ' HIS . 1.4 mp -105.96 52.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 10.0 109.262 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.94 144.61 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 10.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 63.5 m-85 -78.84 144.22 35.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -138.38 102.8 7.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 110.334 179.902 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.92 -179.99 28.54 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 10.0 111.085 -0.073 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p -102.96 -26.92 12.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 110.052 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -125.46 125.44 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 10.0 110.465 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG12 ' CG2' ' A' ' 5' ' ' VAL . 16.6 m -132.68 140.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 10.0 109.23 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -87.61 145.08 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 10.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD11 ' CG ' ' A' ' 73' ' ' PHE . 2.3 tt -145.58 156.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.2 mmtt -83.97 165.62 18.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 10.0 109.223 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.38 81.4 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.637 1.211 . . . . 10.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 153.5 -25.93 0.76 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.483 1.114 . . . . 10.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.44 -178.4 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 10.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 1.1 pm0 -124.85 178.77 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 10.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG12 ' CZ2' ' A' ' 31' ' ' TRP . 2.7 t -133.67 140.88 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 10.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.82 124.32 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 10.0 109.237 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.58 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 8.8 m-90 -110.34 102.59 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 10.0 108.01 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.62 136.24 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 10.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 49.7 t-20 -87.04 101.32 13.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.58 -63.39 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.4 -170.57 1.9 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.56 1.162 . . . . 10.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 7.7 mp 67.44 65.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 10.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -96.04 160.32 30.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 10.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 -172.97 11.54 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.02 -2.492 . . . . 10.0 110.976 0.146 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 10.2 m-70 -145.04 155.73 43.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.578 1.173 . . . . 10.0 109.652 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.41 103.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 10.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.502 HD11 ' CE1' ' A' ' 58' ' ' HIS . 2.6 mt -87.68 86.81 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 10.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 t -84.42 131.41 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.334 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.514 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 2.9 m-85 -106.86 124.63 49.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 10.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.22 158.46 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.01 75.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.91 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 10.0 109.296 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.51 13.09 64.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 10.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.13 167.19 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 10.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.37 166.48 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.62 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 10.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -53.96 -61.82 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -45.93 -52.04 12.28 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.464 1.103 . . . . 10.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -60.74 -30.43 69.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -57.8 -44.93 86.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD23 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -64.65 -27.84 69.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 10.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 43.1 t -75.31 128.79 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.024 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 9.1 m170 -77.72 102.13 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.53 33.4 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 10.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -120.61 -158.63 10.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 10.0 110.96 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.9 mp -143.58 129.58 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 10.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HB1' ' ND2' ' A' ' 33' ' ' ASN . . . -110.54 117.68 34.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 35.5 p90 -133.94 -45.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 10.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.2 118.48 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 10.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 169.54 -30.4 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 10.0 111.026 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -82.1 116.67 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 10.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.2 p -123.42 152.16 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 73.8 m-85 -97.59 173.33 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 10.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.0 m -146.02 146.41 30.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 10.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.6 p -145.15 142.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 10.0 110.046 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -99.02 134.11 42.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 10.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CG ' HD11 ' A' ' 23' ' ' ILE . 3.1 m-85 -105.58 97.91 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.5 -47.55 6.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 10.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.89 119.41 75.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 10.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 61.27 5.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 10.0 111.111 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.67 -144.72 6.77 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 10.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -136.96 116.2 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 0.751 . . . . 10.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.531 ' CD2' HD23 ' A' ' 56' ' ' LEU . 53.7 m-85 -95.85 150.74 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -135.99 150.1 49.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.515 1.134 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 3.6 p90 -150.04 167.71 25.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.547 ' CE2' ' HG2' ' A' ' 84' ' ' GLU . 2.9 p90 -170.56 127.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 10.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.552 ' CB ' ' ND1' ' A' ' 86' ' ' HIS . 1.6 m -60.61 103.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 10.0 108.232 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -60.29 -54.54 54.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.05 -65.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.467 1.772 . . . . 10.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.552 ' ND1' ' CB ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 48.63 -168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 109.597 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -151.22 50.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 10.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.46 -87.43 0.07 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.551 1.157 . . . . 10.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 175.33 100.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 0.804 . . . . 10.0 109.374 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.72 169.0 10.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 10.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.486 ' C ' ' CG2' ' A' ' 92' ' ' VAL . 57.9 ttp -141.26 -49.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.486 ' CG2' ' C ' ' A' ' 91' ' ' MET . 1.7 t 76.64 -172.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.595 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 95.61 128.67 5.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.52 166.91 24.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.51 159.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.356 1.035 . . . . 10.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.2 t -139.06 115.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.457 ' CG2' ' CD2' ' A' ' 73' ' ' PHE . 4.4 t -77.65 140.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 10.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.0 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.78 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.56 ' O ' ' CG2' ' A' ' 29' ' ' VAL . . . -145.06 113.51 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 10.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -123.77 150.28 44.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG2' HG11 ' A' ' 21' ' ' VAL . 72.7 t -145.33 121.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 10.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -70.36 114.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 10.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 33' ' ' ASN . 44.2 mtt -34.68 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.11 -134.97 6.7 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.467 1.104 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.422 ' N ' HD22 ' A' ' 34' ' ' ASN . 4.3 m -128.73 126.03 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 10.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.21 -59.5 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 10.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -30.82 14.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.567 1.167 . . . . 10.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 113.54 86.98 1.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -167.38 141.03 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 10.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -76.96 81.11 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 10.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.22 174.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 10.0 109.368 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.619 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 14.1 p90 -145.04 109.9 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.37 141.19 16.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 10.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -75.08 134.89 37.96 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 10.0 111.019 0.041 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.419 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -51.88 -46.13 64.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.985 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m -116.57 118.92 33.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 10.0 110.437 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.9 m -118.84 139.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 10.0 109.371 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.68 134.39 33.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.374 -179.888 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 98' ' ' ASP . 4.8 tt -139.4 161.92 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.1 mttt -95.95 164.37 12.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.82 90.74 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 10.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.88 -14.36 4.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.552 1.157 . . . . 10.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.472 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -75.0 177.16 6.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 0.771 . . . . 10.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.12 165.41 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.592 HG13 ' CZ2' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -125.92 161.5 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -139.55 126.94 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 10.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CZ2' HG13 ' A' ' 29' ' ' VAL . 13.6 m-90 -111.35 99.91 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -83.97 129.15 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.492 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 43.1 t30 -88.37 131.17 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 10.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 9' ' ' SER . 1.7 p30 -113.51 -34.3 5.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 10.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.05 -166.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 10.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 64.83 63.1 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.55 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -104.56 163.71 16.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 10.0 109.994 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.55 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.0 -60.47 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.914 -2.536 . . . . 10.0 111.015 -0.085 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 65.56 152.19 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 10.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.449 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 2.5 m120 -129.02 178.51 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 10.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.435 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.0 mt -130.64 59.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 10.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.74 138.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.21 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.3 m-85 -108.02 139.91 41.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.44 1.087 . . . . 10.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.96 144.37 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.31 77.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 10.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 -60.53 1.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 10.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.08 58.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 10.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.7 t -129.29 167.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 10.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.27 152.95 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.595 1.185 . . . . 10.0 109.362 179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 19.6 m-20 -52.62 -56.53 14.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 10.0 109.195 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -50.77 -51.21 52.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 110.372 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.32 -19.48 63.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -69.99 -34.49 73.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.589 1.181 . . . . 10.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -24.67 29.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 10.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.62 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.2 -8.58 38.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 13.9 t -90.53 133.49 35.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 10.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.503 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.4 m-70 -111.58 99.64 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 10.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -43.79 3.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 109.226 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 126.75 153.4 8.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 10.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER 162.22 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 10.0 109.378 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -111.04 104.52 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 10.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 64' ' ' ALA . 32.3 p90 -138.12 -45.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 10.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 63' ' ' PHE . . . -92.2 112.04 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.63 156.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.27 9.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 10.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.81 117.46 16.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.471 0.747 . . . . 10.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.79 132.78 45.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.937 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.503 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.5 m-85 -89.84 174.32 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 10.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 90.6 m -145.1 151.55 38.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 10.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.41 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 13.4 t -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 10.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.5 m -110.75 117.74 34.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.8 m-85 -96.42 99.3 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 10.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.73 -49.98 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -80.99 131.69 59.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 10.0 110.393 179.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 10.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.83 -149.83 6.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.37 1.044 . . . . 10.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.46 102.92 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 10.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.767 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 61.4 m-85 -86.23 154.16 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 10.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.5 m -141.15 149.45 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 10.0 110.372 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 8.6 p90 -142.96 147.76 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.671 1.232 . . . . 10.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.3 p90 -120.18 -7.65 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 111.057 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 84' ' ' GLU . 1.3 t 68.09 -67.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.352 1.032 . . . . 10.0 108.346 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 4.7 mt-10 159.0 171.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.296 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 54.4 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.408 1.741 . . . . 10.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.576 ' CE1' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -82.03 142.86 31.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.624 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.17 -83.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 151.25 52.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 10.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.25 -59.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 10.0 109.276 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' MET . . . 138.72 -50.41 0.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.616 1.197 . . . . 10.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.585 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 37.2 73.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 0.699 . . . . 10.0 110.984 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.619 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 26.6 m -121.44 120.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.403 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -117.02 169.78 13.2 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.465 1.103 . . . . 10.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.55 120.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.03 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 109.399 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.5 t -144.52 123.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 10.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.432 ' CG2' ' HD2' ' A' ' 73' ' ' PHE . 3.6 t -90.87 171.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 10.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.577 1.173 . . . . 10.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' ALA . 4.7 p-10 -78.17 176.5 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 10.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -79.6 157.03 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 9.6 t -146.76 162.62 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.386 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -140.39 144.2 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.34 150.74 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.53 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 22.3 mtt -85.05 89.53 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 10.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.46 -140.43 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 10.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -142.38 144.81 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 10.0 110.038 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -55.6 18.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 10.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -45.6 38.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 10.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.3 84.3 0.76 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.564 1.165 . . . . 10.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.12 145.22 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 10.0 109.372 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -74.89 60.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.329 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.85 128.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.397 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 82.6 m-85 -76.24 120.78 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 10.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.1 tp10 -131.74 125.66 20.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 10.0 110.282 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.478 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.11 143.93 79.24 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.025 -2.489 . . . . 10.0 110.988 0.089 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -67.62 -47.24 70.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.87 136.85 47.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 10.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.8 m -143.01 136.6 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.66 142.72 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 10.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG2' ' HA ' ' A' ' 97' ' ' VAL . 0.7 OUTLIER -140.57 -179.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 179.17 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.64 82.79 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 143.44 -14.09 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.447 1.092 . . . . 10.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.16 -178.19 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 10.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 0.7 OUTLIER -129.25 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.247 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.611 ' CG1' ' CZ2' ' A' ' 31' ' ' TRP . 12.4 t -141.27 118.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 10.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' O ' ' OG1' ' A' ' 4' ' ' THR . 3.0 ttmt -96.92 139.42 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 10.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.611 ' CZ2' ' CG1' ' A' ' 29' ' ' VAL . 6.7 m-90 -124.7 100.04 6.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.62 1.2 . . . . 10.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.8 p -88.33 142.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.972 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -83.62 118.22 23.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -97.63 -57.46 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.512 1.132 . . . . 10.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -172.15 -170.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 10.0 109.231 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD22 ' CA ' ' A' ' 14' ' ' LEU . 1.3 mp 68.28 70.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.359 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.67 161.3 46.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 10.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 164.09 89.2 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.968 -2.513 . . . . 10.0 110.998 0.077 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.53 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -176.96 148.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 10.0 109.658 -179.97 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.96 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.436 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mp -123.33 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 27.5 t -84.4 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 10.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -108.71 148.57 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 10.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.71 155.03 18.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.91 77.18 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 10.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.24 106.85 17.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.99 -39.94 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 10.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.1 t -85.22 168.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 0.757 . . . . 10.0 109.367 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.62 151.12 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -54.78 25.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -49.86 -49.86 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -51.41 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -53.84 -22.29 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -64.34 -50.2 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.633 1.208 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.42 76.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -82.96 -6.58 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.478 1.111 . . . . 10.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.4 t -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 10.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 5.2 m170 -82.53 103.1 11.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 10.0 109.627 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.39 -32.75 24.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.37 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.55 131.29 10.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 10.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -89.32 179.06 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 0.717 . . . . 10.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.43 157.87 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 10.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 22.6 m-85 -133.33 -47.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 10.0 111.029 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.3 136.84 36.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.41 77.9 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.82 -40.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 10.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.83 99.91 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.583 0.814 . . . . 10.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 m -111.56 138.16 48.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 10.0 110.015 179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 57.4 m-85 -92.92 174.34 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -145.59 149.74 35.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.083 . . . . 10.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.9 p -145.42 129.59 17.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 10.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 90.2 m -90.21 128.8 36.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 10.0 110.357 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.572 ' CD1' HD21 ' A' ' 56' ' ' LEU . 3.3 m-30 -96.4 99.66 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -96.63 -48.47 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 10.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.38 119.99 79.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.478 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -75.03 68.06 5.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 10.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.62 -138.55 5.22 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.481 1.113 . . . . 10.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.24 105.32 4.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 0.81 . . . . 10.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 56' ' ' LEU . 56.6 m-85 -88.88 147.64 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 10.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 m -142.67 150.07 39.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.185 . . . . 10.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 8.1 p90 -134.85 162.96 30.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.47 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -144.71 77.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' TYR . 53.1 t -41.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.398 1.061 . . . . 10.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 tt0 -71.16 -51.98 9.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 92.49 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.545 1.813 . . . . 10.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.556 ' CE1' ' HE1' ' A' ' 91' ' ' MET . 2.5 t60 -162.77 -69.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.573 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -171.37 -48.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.38 61.31 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 10.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' CB ' HD11 ' A' ' 14' ' ' LEU . . . -114.4 -59.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 10.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 91' ' ' MET . . . -173.37 -92.23 0.08 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.433 1.083 . . . . 10.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.57 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER 78.17 -52.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.773 . . . . 10.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 93' ' ' GLY . 77.9 t 54.08 -101.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' CG1' ' A' ' 92' ' ' VAL . . . 61.4 119.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 10.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -144.86 159.05 43.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 10.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.493 HG11 ' CE2' ' A' ' 73' ' ' PHE . 1.7 t -121.84 156.0 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 10.0 109.406 179.952 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.3 t -131.4 131.56 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 10.0 109.347 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.488 ' HA ' ' CG2' ' A' ' 23' ' ' ILE . 9.7 t -100.88 148.81 6.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.504 1.128 . . . . 10.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.297 -179.995 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.65 142.82 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 10.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.57 148.05 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 30' ' ' LYS . 12.2 t -137.38 155.92 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 6' ' ' LYS . 20.0 t -143.18 138.18 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 10.0 109.211 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -99.07 110.96 23.48 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.533 1.146 . . . . 10.0 109.218 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.432 ' O ' ' O ' ' A' ' 15' ' ' VAL . 10.0 mtt -35.79 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 10.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 177.17 51.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.401 1.063 . . . . 10.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 m -142.23 131.28 23.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.729 . . . . 10.0 110.041 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 60.0 12.68 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 35' ' ' LYS . 4.8 t 50.26 52.15 15.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.411 ' CA ' HD23 ' A' ' 36' ' ' LEU . . . -167.79 -44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 10.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.01 146.48 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 10.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -104.07 104.77 14.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 10.0 109.244 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' MET . 17.2 m -148.78 -170.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 16' ' ' PHE . 1.2 p90 -145.07 111.11 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 10.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -143.06 141.96 20.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 10.0 110.308 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.95 133.68 32.49 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.048 -2.48 . . . . 10.0 110.971 0.037 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 91.2 p -38.17 -53.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 10.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -114.47 150.89 34.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 10.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.5 m -140.37 161.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.05 138.35 41.39 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.543 1.152 . . . . 10.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.504 ' CG2' ' CG2' ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.04 162.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 10.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 mmtt -111.95 158.12 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.232 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 101.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 10.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.73 -20.24 7.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 10.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -75.0 -179.07 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 10.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.26 172.31 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 110.262 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 2.3 t -130.93 162.39 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 10.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 5.3 ttmt -128.89 122.89 31.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.454 ' CZ2' HG12 ' A' ' 29' ' ' VAL . 21.2 m-90 -108.24 99.81 9.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.965 -1.124 . . . . 10.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.88 144.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 10.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -86.01 136.91 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 10.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.66 -54.81 2.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 10.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 1.1 tttm -178.8 -170.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.432 1.083 . . . . 10.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD23 ' CA ' ' A' ' 12' ' ' GLY . 2.0 mm? 64.18 55.34 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 10.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.489 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.42 161.24 49.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 10.0 109.975 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.975 -2.51 . . . . 10.0 110.978 -0.014 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.27 130.08 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 109.645 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER -129.64 123.75 32.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 10.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -99.0 67.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 10.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.3 t -78.56 137.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 10.0 109.394 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 5.9 m-85 -110.96 134.12 52.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 10.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.36 163.86 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.489 1.118 . . . . 10.0 109.238 -179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.69 75.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 10.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.67 -81.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.71 86.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 10.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.77 158.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.04 166.82 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.192 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.55 -56.11 5.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 10.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.62 -54.77 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 m -51.73 -41.86 61.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 10.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -64.67 -33.37 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.79 64.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -33.8 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 10.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.32 -9.01 46.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 10.0 109.353 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 13.3 t -82.89 138.19 33.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 10.0 109.894 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.542 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.8 m-70 -100.09 99.93 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 10.0 109.633 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 38.17 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.91 -42.58 1.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 10.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 tt 80.82 135.34 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.63 135.4 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 10.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -118.06 -67.41 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 10.0 110.995 -179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 162.18 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.61 1.193 . . . . 10.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.16 92.66 6.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 10.0 109.376 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.5 -32.48 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 10.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.16 124.1 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 10.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -123.8 161.85 24.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 35.4 m-85 -117.65 174.05 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 10.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.2 m -145.78 149.46 34.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 10.0 110.418 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.34 130.11 18.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 10.0 109.99 179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.8 m -99.36 116.59 31.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 10.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.746 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -81.65 99.07 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -17.32 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -110.66 123.71 34.94 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 10.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.94 -152.22 5.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 10.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m -127.58 100.72 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.746 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 68.2 m-85 -81.32 138.35 35.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 10.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 m -120.12 139.73 52.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 10.0 110.479 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -139.46 153.77 47.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -161.25 166.32 27.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 10.0 111.02 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.688 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 1.8 m -103.51 -172.21 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 108.342 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -172.77 -60.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 10.0 110.319 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.06 52.71 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.688 ' CE1' ' CB ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -162.65 -172.35 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 109.573 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.53 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -62.54 145.78 53.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 10.0 110.201 -179.868 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.57 -144.39 30.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.127 . . . . 10.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.53 -73.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 0.755 . . . . 10.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.88 150.37 10.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -66.48 154.98 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 10.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -108.94 -20.29 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 10.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -38.34 142.1 0.37 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.645 1.215 . . . . 10.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.76 170.6 15.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 10.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 22.0 t -114.93 162.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -141.91 122.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.319 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.504 ' CG2' ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -109.84 110.09 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 10.0 109.227 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.37 179.918 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.44 172.58 12.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 10.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.57 119.65 38.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 109.344 179.927 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -115.2 150.05 36.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.703 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 49.1 t -132.96 152.17 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -96.86 96.65 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.468 ' CB ' ' HE1' ' A' ' 91' ' ' MET . 11.4 mtt -34.47 -49.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 10.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.18 173.07 14.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -94.96 140.95 29.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.783 . . . . 10.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.6 -46.05 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -52.22 -70.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.073 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 58.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.9 -175.63 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 10.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.567 ' CD1' ' CD2' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -136.23 64.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 10.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.6 m -121.32 137.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 71.3 t80 -92.26 106.23 18.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 10.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tp10 -126.15 137.03 29.39 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.06 141.08 70.65 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.996 0.025 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 t -42.07 -50.03 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.984 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.3 m -119.69 125.35 48.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 10.0 110.375 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.5 m -119.5 141.98 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.95 132.85 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.181 . . . . 10.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.405 HD11 ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -128.19 164.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 10.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 22.1 mtmt -109.6 156.34 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.85 93.18 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 134.41 -27.3 3.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 10.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.465 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 76.9 mm-40 -73.95 -179.56 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 10.0 110.367 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' OE1' ' C ' ' A' ' 27' ' ' GLU . 1.1 pm0 -134.5 175.65 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.542 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.0 t -132.3 132.11 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -95.29 130.62 41.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.542 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 15.4 m-90 -114.8 100.23 8.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 10.0 107.988 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -87.7 137.57 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -86.37 100.43 12.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.64 -71.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 10.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -170.29 -172.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 10.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 65.13 65.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.494 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -81.52 161.51 61.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 10.0 109.974 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.96 -172.97 11.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.501 . . . . 10.0 110.983 -0.016 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -151.61 114.27 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.561 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -119.07 142.45 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 10.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HG23 ' CE1' ' A' ' 43' ' ' PHE . 8.0 mt -126.11 71.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.06 137.24 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.237 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 6.2 m-85 -108.46 127.09 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 10.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.44 175.24 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.95 70.49 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 10.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.99 70.17 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -20.12 41.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.0 t -101.32 152.2 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 10.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.21 149.32 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.7 -60.78 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -58.0 3.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 10.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.5 m -50.64 -37.92 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 110.395 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -66.89 -31.04 71.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.72 -20.79 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -38.24 17.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 10.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' CD1' ' CE2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -88.61 -9.74 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.3 t -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 10.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 13.2 m-70 -103.89 99.47 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 10.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.04 34.0 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.24 -147.01 15.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 10.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.52 119.7 1.23 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 0.77 . . . . 10.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -97.92 129.39 44.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 10.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -123.11 -70.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.11 142.27 39.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.12 80.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.34 -38.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 10.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.48 102.17 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 10.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 p -111.39 149.03 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 10.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.9 m-85 -100.78 170.07 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -146.63 141.48 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.4 p -137.62 127.52 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 110.038 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 28' ' ' GLU . 27.5 m -95.2 132.41 40.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 10.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.8 m-85 -100.0 98.36 9.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -42.01 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.62 125.09 60.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 89.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.83 -142.8 4.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 10.0 111.069 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -137.85 106.49 5.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 0.766 . . . . 10.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.718 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 77.4 m-85 -90.51 138.97 31.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 10.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.7 m -126.9 145.07 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' A' ' 16' ' ' PHE . 9.9 p90 -146.19 -179.52 6.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 10.0 110.975 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 5.2 p90 -164.28 140.12 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 10.7 t -97.64 24.98 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.48 171.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 110.357 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 61.0 5.52 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.502 1.791 . . . . 10.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.567 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.83 76.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' GLY . 1.5 mpt_? 65.91 -70.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -36.67 -89.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 10.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -172.12 -68.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.76 104.21 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 10.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.468 ' HE1' ' CB ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -48.62 -28.79 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 10.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 93' ' ' GLY . 2.9 p 44.11 -165.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.467 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 107.38 139.77 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 10.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 156.1 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.11 152.13 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.88 121.67 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 10.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.69 135.63 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 109.364 179.923 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.63 132.38 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 10.0 109.361 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.34 163.1 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 14.8 t -144.35 166.84 23.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 10.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -144.79 156.59 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 10.0 109.356 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.99 132.22 56.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -75.2 86.89 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 111.02 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 178.14 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 10.0 111.061 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.51 159.99 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 10.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -54.24 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -61.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.382 1.052 . . . . 10.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.88 47.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 10.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 151.3 41.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.344 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' CG1' ' A' ' 15' ' ' VAL . 1.1 pp -82.99 91.59 7.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 14' ' ' LEU . 15.1 m -157.95 127.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 36.9 m-85 -80.19 117.93 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.1 tp10 -135.86 131.77 19.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 10.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 134.08 34.3 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 10.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.418 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 70.1 p -53.83 -53.75 48.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 110.052 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -104.08 140.18 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 110.454 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.4 m -143.55 162.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.38 142.69 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CG2' HG21 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -145.51 159.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 10.0 109.307 179.915 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.4 166.89 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 10.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.99 134.43 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 10.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.66 -19.2 34.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.558 1.161 . . . . 10.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' CB ' HD13 ' A' ' 23' ' ' ILE . 4.3 mm-40 -74.99 -179.25 4.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 10.0 110.262 -179.915 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -138.57 170.78 15.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.589 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -128.87 162.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.7 ttmm -126.18 131.68 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.589 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 24.1 m-90 -118.53 99.74 7.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' HD3' ' A' ' 30' ' ' LYS . 54.1 t -93.01 139.78 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -84.06 138.63 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.399 1.062 . . . . 10.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -108.93 -61.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 10.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 -177.67 3.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 1.2 mp 75.63 70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.484 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 58.6 p -96.54 151.27 37.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.6 Cg_endo -74.94 -173.7 12.76 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.023 -2.491 . . . . 10.0 110.99 -0.011 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -155.33 148.62 24.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 10.0 109.669 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 14.1 t-20 -146.54 154.87 42.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 10.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.493 HG21 ' CE1' ' A' ' 43' ' ' PHE . 9.9 mt -131.51 61.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 10.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 54.5 t -74.83 134.82 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CE1' ' CD2' ' A' ' 58' ' ' HIS . 4.9 m-85 -104.4 142.45 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 10.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.31 152.81 20.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 10.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.29 76.76 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 10.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -105.27 98.88 8.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 10.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.32 -20.93 27.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 10.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.94 154.21 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.754 . . . . 10.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.02 156.13 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.7 -49.79 19.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -51.68 -64.21 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 10.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -43.42 -58.44 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.16 -37.98 56.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 51' ' ' ASP . . . -53.77 -52.88 58.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -45.61 89.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.712 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -70.11 -12.53 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 10.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -80.01 121.91 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 10.0 109.906 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 12.5 m170 -74.43 103.15 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 10.0 109.664 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 40.08 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 10.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.79 -36.65 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 10.0 111.039 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD11 ' ND2' ' A' ' 40' ' ' ASN . 0.1 OUTLIER 72.45 124.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 10.0 109.322 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.479 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -126.16 129.43 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 10.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.5 p90 -132.69 -43.52 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 10.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 113.64 18.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.0 109.273 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.45 126.23 9.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.42 -44.55 1.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 10.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.87 121.28 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 0.807 . . . . 10.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -130.48 135.08 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.592 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 62.4 m-85 -98.59 175.98 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' A' ' 29' ' ' VAL . 88.1 m -145.58 152.31 39.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 10.0 110.395 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 16.5 m -130.36 164.1 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 10.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.7 m -133.0 123.05 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 10.0 110.455 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -103.37 98.54 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -76.8 -52.85 8.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 10.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -88.93 132.5 37.98 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 98.31 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 10.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.06 -139.49 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 m -145.42 102.12 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 10.0 110.448 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.782 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 43.0 m-85 -85.61 157.27 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.2 m -134.57 145.79 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 10.0 110.369 -179.946 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 7.4 p90 -147.04 167.96 22.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 10.0 111.024 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.505 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.7 p90 -163.15 -164.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 10.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 103.26 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 10.0 108.275 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.3 mt-10 -65.04 -51.23 57.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 10.0 110.327 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.95 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 10.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -39.59 118.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 10.0 109.561 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.49 96.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.673 1.233 . . . . 10.0 110.34 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -38.08 -69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.534 1.146 . . . . 10.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 41.36 39.57 1.04 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.509 0.77 . . . . 10.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.16 -129.35 5.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.45 1.093 . . . . 10.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.558 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 2.1 mtt 37.82 73.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 0.717 . . . . 10.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 93' ' ' GLY . 78.4 t -81.91 -90.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 59.93 125.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.585 1.178 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -136.86 156.55 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 10.0 109.197 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.423 ' HB ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -104.21 146.87 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.24 132.77 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.233 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.454 HG21 ' CG2' ' A' ' 23' ' ' ILE . 2.5 t -103.86 169.6 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 10.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.302 -179.99 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.467 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 2.0 p30 -75.46 140.78 43.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.77 150.85 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 145.89 45.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 10.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.684 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 12.1 t -137.78 128.62 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 10.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 144.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.646 1.216 . . . . 10.0 109.242 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.582 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.92 75.4 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 10.0 110.982 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.83 -140.26 11.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 10.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -144.73 151.02 38.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 10.0 110.063 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -45.14 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 10.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -60.45 -63.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 10.0 109.986 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 10.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.63 -173.42 2.47 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 0.752 . . . . 10.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 90' ' ' GLY . 2.1 pp -114.14 -48.3 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -44.69 134.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.684 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -75.35 139.95 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -144.72 127.65 8.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.487 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 134.02 34.06 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.066 -2.473 . . . . 10.0 110.997 -0.064 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 10.0 110.07 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -107.98 140.26 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.487 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 10.6 m -138.01 150.17 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.87 143.25 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.572 1.17 . . . . 10.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.497 ' CG2' HG23 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -138.78 152.88 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.204 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' N ' HD11 ' A' ' 23' ' ' ILE . 5.2 mttt -105.14 141.11 37.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 124.75 -16.99 7.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 10.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CB ' HD12 ' A' ' 23' ' ' ILE . 1.1 mm-40 -75.32 -179.76 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 10.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -125.51 171.79 10.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 10.0 110.287 179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG11 ' CZ3' ' A' ' 31' ' ' TRP . 3.9 t -141.55 135.29 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -104.89 131.68 52.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 10.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.588 ' CZ3' HG11 ' A' ' 29' ' ' VAL . 14.7 m-90 -116.97 99.2 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.99 147.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 10.0 109.209 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -84.09 125.8 32.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.31 -62.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 10.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.1 OUTLIER 179.95 -172.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 10.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' CE1' ' A' ' 39' ' ' HIS . 11.0 mp 66.01 45.05 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 10.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.97 162.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.056 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.89 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.028 -2.488 . . . . 10.0 111.028 -0.162 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 1.7 m-70 69.38 100.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.589 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 2.9 m120 -106.02 171.09 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.44 HG21 ' CE1' ' A' ' 43' ' ' PHE . 2.1 mt -125.97 57.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.349 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -77.09 135.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 10.0 109.368 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 8.4 m-85 -109.64 135.47 50.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 10.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.99 152.64 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 10.0 109.206 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.58 72.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 10.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.86 101.44 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.345 1.028 . . . . 10.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -40.85 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 10.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.6 t -83.42 165.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 10.0 109.386 179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.21 156.84 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.199 -179.947 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.82 -56.5 5.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 10.0 109.237 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -59.94 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 10.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -48.53 -50.45 31.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 10.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -59.34 -29.44 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.307 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -51.7 67.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD11 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -71.76 -11.26 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t -86.62 135.34 33.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 10.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 35.3 m-70 -109.32 100.1 9.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 10.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -94.3 39.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 10.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -121.1 139.23 13.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.449 1.093 . . . . 10.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.46 130.52 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.261 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.87 155.33 19.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 10.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 23.6 m-85 -156.71 -51.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 10.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -74.54 121.22 21.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.51 74.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . -171.94 -39.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 10.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.31 99.9 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 10.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.9 p -109.34 150.6 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 10.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -107.63 174.45 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 10.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.1 m -145.33 152.92 40.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 10.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 p -144.5 -179.92 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 10.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.5 m -146.56 144.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 10.0 110.354 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -115.1 98.42 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 10.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 -46.88 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 10.0 110.427 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 126.44 68.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 10.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 84.4 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 10.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.49 -144.12 4.68 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 10.0 110.967 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -138.91 109.96 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 10.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.761 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 52.5 m-85 -90.94 160.93 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.4 m -141.96 150.3 41.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 10.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.402 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 24.2 p90 -144.62 157.78 44.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 10.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 2.0 p90 -167.41 117.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 35.1 m -49.59 131.35 21.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.5 -56.48 26.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 10.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.0 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 10.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 1.3 t60 66.81 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 85.72 63.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 110.345 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.17 -34.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.556 1.16 . . . . 10.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 64.16 96.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 10.0 109.411 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' A' ' 14' ' ' LEU . . . 134.55 93.25 0.45 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 10.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.563 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 38.5 ttp -127.41 -54.66 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 10.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.1 t 71.98 169.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.402 ' C ' ' CZ ' ' A' ' 81' ' ' TYR . . . 119.19 121.66 3.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 10.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -144.91 164.35 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 10.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.19 157.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.48 127.78 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 10.0 109.426 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.497 HG23 ' CG2' ' A' ' 23' ' ' ILE . 2.4 t -94.97 118.15 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.098 . . . . 10.0 109.293 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -142.76 138.64 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 10.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.5 t -137.36 147.5 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 10.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.836 ' CG2' HG11 ' A' ' 21' ' ' VAL . 24.9 t -140.66 123.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 129.67 34.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.565 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 14.8 mtt -70.99 77.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 10.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.82 169.2 20.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 10.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.5 t -100.57 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 10.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -59.09 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -39.48 -50.65 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 10.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.89 59.04 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.65 165.01 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -63.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' H ' HG13 ' A' ' 15' ' ' VAL . 5.9 m -40.48 144.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CZ ' ' CE ' ' A' ' 91' ' ' MET . 20.7 m-85 -86.48 149.08 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.2 143.1 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.843 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 134.28 35.22 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 10.0 110.979 0.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.3 m -38.42 -51.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -114.94 138.23 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.8 m -136.52 136.27 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.63 138.74 39.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -141.16 161.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.4 mmtp -107.03 151.45 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 10.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -70.27 93.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.6 -17.67 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 10.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 47.9 mm-40 -74.71 176.28 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.2 mt-10 -122.85 163.67 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 10.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.0 t -125.75 160.42 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 10.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.8 ttpt -135.63 124.42 23.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 12.6 m-90 -109.59 99.51 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 10.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -80.3 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 10.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.418 HD22 ' HB1' ' A' ' 62' ' ' ALA . 6.7 t-20 -79.8 120.33 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 10.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.03 -57.44 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -177.4 -164.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 10.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 65.56 70.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.83 162.69 39.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 10.0 109.98 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HB2' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.03 168.9 76.06 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.001 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -178.72 166.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.55 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -152.03 175.42 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.638 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -118.76 96.51 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.8 t -93.56 131.25 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.638 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -108.48 137.44 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.08 153.08 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.35 79.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.98 -73.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.71 15.26 60.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.131 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 79' ' ' TYR . 57.5 t -133.0 166.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -64.36 157.76 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.57 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -40.85 -51.2 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 m -50.38 -67.66 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -43.42 -44.23 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -40.29 -67.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.11 -55.24 8.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 10.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -53.74 -26.04 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 p -78.14 122.7 25.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 10.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.482 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 42.1 m-70 -93.88 100.63 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 109.646 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 36.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.61 -136.73 9.43 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.959 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -175.35 107.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 10.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -95.79 128.53 42.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CE1' HD12 ' A' ' 61' ' ' LEU . 44.0 m-85 -123.15 -55.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.73 151.04 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 74.69 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.73 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 10.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -75.23 108.0 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.55 131.79 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 30.0 m-85 -83.7 179.29 7.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 10.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 29' ' ' VAL . 69.4 m -144.36 151.4 39.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 10.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.579 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.7 t -136.86 166.27 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.406 HG23 ' HG3' ' A' ' 28' ' ' GLU . 6.5 m -139.98 122.31 16.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.665 ' CE1' HD21 ' A' ' 56' ' ' LEU . 5.1 m-85 -100.93 98.85 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.63 -55.7 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 10.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 131.6 72.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 10.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.22 -144.74 4.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 10.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 95' ' ' VAL . 15.8 m -143.36 102.08 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 10.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 56' ' ' LEU . 61.7 m-85 -84.33 148.07 26.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.1 m -132.29 153.65 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 3.8 p90 -148.2 158.2 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -150.57 136.56 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.432 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 108.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.703 ' CE ' ' CZ ' ' A' ' 16' ' ' PHE . 44.0 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.444 0.164 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.4 m -118.84 130.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.64 138.37 2.44 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 10.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -142.82 172.62 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.77 . . . . 10.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 78' ' ' THR . 40.1 t -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 95' ' ' VAL . 54.1 t -145.97 133.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -104.74 147.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 10.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.858 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -120.3 137.74 54.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 t -145.12 149.1 34.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.71 140.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.217 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -97.33 120.42 37.65 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.411 1.069 . . . . 10.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.765 ' HE1' HD11 ' A' ' 41' ' ' ILE . 71.6 mtm -70.02 79.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 10.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.55 -159.62 18.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 10.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 6.1 m -136.62 149.68 48.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 10.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -54.31 -59.04 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.11 -59.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 10.0 110.017 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.57 74.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.9 162.6 39.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 0.794 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -97.07 78.26 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 10.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.486 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 33.2 m -131.88 168.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 2.8 p90 -131.52 111.96 12.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 10.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.5 mt-10 -139.05 140.89 28.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.04 . . . . 10.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.832 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.14 134.37 35.6 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.996 -2.502 . . . . 10.0 111.006 0.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 3.3 t -38.53 -53.04 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 10.0 109.949 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 4.4 m -118.26 146.49 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.832 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.4 m -136.35 147.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 10.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.85 141.66 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 10.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.956 HD12 HG23 ' A' ' 29' ' ' VAL . 6.7 tt -145.3 157.83 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -93.44 171.63 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 10.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.71 85.97 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.097 . . . . 10.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 139.62 -11.64 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 10.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.84 -179.21 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 10.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.1 mt-10 -128.25 161.71 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 10.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.956 HG23 HD12 ' A' ' 23' ' ' ILE . 3.7 t -119.95 157.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.394 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 123.84 30.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.709 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.3 m-90 -112.98 99.87 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.8 135.19 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -80.66 112.48 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 9' ' ' SER . 12.1 t30 -77.32 -66.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 10.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.96 -166.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 HD21 ' A' ' 14' ' ' LEU . 4.3 mm? 65.74 61.01 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -84.4 160.92 55.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.07 174.23 53.82 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.966 -2.514 . . . . 10.0 111.055 0.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -142.61 146.63 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 10.0 109.609 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.409 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 11.9 t-20 -145.48 145.69 31.18 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.577 1.173 . . . . 10.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.8 mt -123.97 68.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.377 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -81.78 145.54 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.809 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -120.8 128.09 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 10.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -83.02 146.55 28.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.397 1.061 . . . . 10.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -102.03 82.16 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.42 -65.47 0.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.495 1.122 . . . . 10.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.13 22.92 37.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -138.73 165.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.23 -179.38 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -62.22 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 10.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.7 -50.18 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 10.0 109.272 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.5 m -54.92 -66.62 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 10.0 110.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -47.2 -31.3 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.42 -55.84 28.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -52.77 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.861 HD22 ' CE2' ' A' ' 79' ' ' TYR . 7.7 mp -64.63 -17.69 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 10.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.2 t -84.7 128.18 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.541 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 32.0 m80 -102.5 101.16 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -40.24 40.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 10.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.64 121.13 19.12 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.605 1.191 . . . . 10.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -79.74 151.05 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.729 . . . . 10.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.52 153.59 18.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 10.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -141.41 -60.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.92 128.35 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 10.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 86.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 10.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.13 -33.73 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 10.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.56 100.02 9.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 10.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 p -106.76 153.59 22.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 10.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.541 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 22.6 m-85 -106.59 173.29 6.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 10.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.0 m -144.38 150.92 38.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.441 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 20.3 p -139.73 165.99 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 10.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 m -123.14 130.36 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 10.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-85 -104.03 98.24 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 10.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -93.39 -42.97 8.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -78.84 120.49 81.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 64.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.28 -141.45 5.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 10.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 95' ' ' VAL . 3.1 m -140.56 117.6 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 10.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.861 ' CE2' HD22 ' A' ' 56' ' ' LEU . 60.2 m-85 -99.38 156.48 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.5 m -131.84 148.39 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 10.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -153.34 169.12 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.449 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -177.59 177.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 10.0 110.97 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 108.311 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.559 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.47 0.176 . . . . 10.0 110.954 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.56 HG23 ' H ' ' A' ' 93' ' ' GLY . 14.1 m -137.8 -58.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.56 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 58.71 156.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.505 1.128 . . . . 10.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 20' ' ' THR . 0.8 OUTLIER -144.2 156.32 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 78' ' ' THR . 2.2 t -119.7 157.42 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 10.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.0 t -136.98 117.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.594 1.184 . . . . 10.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 73' ' ' PHE . 8.9 t -75.15 160.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 10.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 35.9 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.643 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -88.37 127.46 35.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 t -117.77 148.32 42.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 10.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 5.5 t -135.6 129.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 10.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.06 137.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.568 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 46.5 mtt -73.43 101.65 3.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 10.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.75 -140.56 15.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.579 1.174 . . . . 10.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.614 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.4 m -143.81 154.91 43.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 10.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.93 -53.94 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 10.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -58.38 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 10.0 109.947 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.41 80.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 10.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -136.07 165.58 25.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.386 0.698 . . . . 10.0 109.215 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 36' ' ' LEU . 1.5 mm? -92.19 -56.47 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 10.0 109.3 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.0 m -40.35 139.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 10.0 109.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 2.6 m-85 -77.61 141.03 39.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 10.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.0 tt0 -140.5 130.82 13.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.463 1.102 . . . . 10.0 110.371 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.96 133.42 31.32 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.017 -2.493 . . . . 10.0 111.009 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -49.01 -52.92 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -104.97 143.56 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.2 m -145.08 171.84 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 10.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.55 138.55 50.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 29' ' ' VAL . 1.4 tt -145.44 152.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.0 mttm -90.47 160.47 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.77 109.26 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 -17.75 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -74.28 179.65 4.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 10.0 110.239 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.3 pm0 -126.75 173.61 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 10.0 110.286 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.85 ' O ' HG23 ' A' ' 70' ' ' THR . 2.2 t -130.84 163.47 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 10.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 9.4 ttmt -133.19 130.38 39.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.583 ' CZ3' ' CE1' ' A' ' 58' ' ' HIS . 5.8 m-90 -120.6 102.26 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -89.72 132.71 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -77.05 131.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -112.47 -67.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.087 . . . . 10.0 109.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -166.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 14' ' ' LEU . 4.5 mm? 63.93 68.76 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 10.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -125.0 161.26 50.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 10.0 109.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 171.44 68.11 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.998 -2.501 . . . . 10.0 110.967 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 2.9 p80 -176.6 132.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 10.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.4 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 3.9 m-20 -105.74 177.28 4.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.736 HG22 ' CE1' ' A' ' 43' ' ' PHE . 11.7 mt -134.0 66.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 t -79.67 130.51 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -101.22 130.89 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 10.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.74 148.45 28.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.25 79.9 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.589 1.181 . . . . 10.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.99 -74.04 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.15 4.2 85.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 10.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ASP . 34.0 t -120.54 164.08 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.45 0.735 . . . . 10.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . 37.4 m-20 -68.89 165.89 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.77 -70.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.267 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.788 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.36 -55.9 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -49.15 -61.0 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 10.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -55.23 -22.14 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 10.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.88 -29.71 66.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -88.35 -22.76 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 1.057 . . . . 10.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.832 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.94 -10.74 30.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.387 1.054 . . . . 10.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.0 t -88.57 140.65 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.583 ' CE1' ' CZ3' ' A' ' 31' ' ' TRP . 3.0 m80 -113.29 99.33 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.52 -37.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 109.198 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 116.4 131.99 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 10.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.97 34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 10.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' C ' ' CG ' ' A' ' 63' ' ' PHE . . . -106.41 136.66 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 10.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.468 ' CG ' ' C ' ' A' ' 62' ' ' ALA . 36.0 m-85 -158.61 -49.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 136.61 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.79 84.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.91 -36.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 10.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.69 133.33 37.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 10.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -129.11 146.3 51.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 10.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.493 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 22.1 m-85 -100.98 168.58 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 29' ' ' VAL . 29.4 m -145.01 149.76 35.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 110.386 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.9 t -141.09 141.27 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 110.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m -115.45 108.72 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 10.0 110.401 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.743 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.5 m-85 -84.34 99.65 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 10.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -79.37 -47.32 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 10.0 110.311 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.82 127.24 58.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 10.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.87 88.7 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 10.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.08 -141.58 4.2 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -141.99 100.57 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 56' ' ' LEU . 55.9 m-85 -82.65 151.34 26.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 25.0 m -131.14 144.38 51.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.497 1.123 . . . . 10.0 110.384 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 12.8 p90 -150.62 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p90 -160.29 -177.85 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 10.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.581 1.175 . . . . 10.0 108.277 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.491 ' CE ' ' CE2' ' A' ' 16' ' ' PHE . 3.9 ttt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.53 0.205 . . . . 10.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.2 m -110.53 153.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.94 134.86 1.95 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.597 1.185 . . . . 10.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -135.99 164.83 27.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.567 0.804 . . . . 10.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.33 153.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 10.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.83 118.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.9 t -88.64 160.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ILE . 2.6 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 10.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -103.25 136.11 43.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 10.0 109.38 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.8 t -126.99 145.61 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.89 142.38 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 10.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -96.44 104.55 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.551 1.157 . . . . 10.0 109.365 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.521 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -36.92 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 10.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.451 ' CA ' ' HB3' ' A' ' 34' ' ' ASN . . . -92.02 -150.59 26.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 10.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -144.65 163.97 32.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 109.972 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -40.95 96.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' GLY . 23.3 m -88.4 42.42 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 10.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 37.33 53.98 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -111.13 121.59 45.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 10.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 14' ' ' LEU . 1.9 pp -75.16 58.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.86 134.21 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 10.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 19' ' ' SER . 45.9 p90 -97.77 108.79 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.99 141.24 38.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 139.66 62.96 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.04 -2.483 . . . . 10.0 111.046 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 16.6 p -36.6 -48.19 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 10.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -122.44 151.15 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 10.0 110.353 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.679 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -138.2 144.21 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 10.0 109.328 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.746 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.3 p -86.49 143.73 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.856 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.38 171.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.678 ' O ' HD13 ' A' ' 23' ' ' ILE . 10.5 mmtt -117.28 145.57 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.375 1.047 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 97' ' ' VAL . . . -62.4 100.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 10.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 121.29 -15.45 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 10.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -74.89 -179.55 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -125.55 162.13 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 10.0 110.237 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 7.1 t -130.3 133.29 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.85 129.66 53.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 10.0 109.35 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 7.1 m-90 -116.13 99.28 7.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.048 -1.094 . . . . 10.0 108.048 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.54 135.84 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.34 99.72 6.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.61 1.194 . . . . 10.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -68.98 -60.03 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -174.78 -166.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.34 70.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 10.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.5 m -95.85 160.23 30.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 109.964 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 -60.25 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.961 -2.516 . . . . 10.0 110.963 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 0.0 OUTLIER 60.48 145.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 10.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.529 ' OD1' HG23 ' A' ' 42' ' ' VAL . 4.0 p30 -136.22 175.66 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 10.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.686 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.1 mt -123.24 83.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.529 HG23 ' OD1' ' A' ' 40' ' ' ASN . 59.0 t -86.0 132.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 10.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.686 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -105.61 133.49 50.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 10.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.74 160.1 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 10.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.78 78.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.48 -68.26 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.31 12.09 61.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 10.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -127.65 158.8 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 10.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.99 174.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.07 -70.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 10.0 109.373 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.36 -49.72 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -50.24 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 10.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -47.55 -58.0 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -38.67 -52.3 1.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 10.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -52.94 62.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.6 1.187 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.911 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -67.79 -9.61 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 p -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 10.0 110.026 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.9 m-70 -82.88 102.2 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 10.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -92.15 27.97 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 10.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 150.42 16.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.601 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mp -109.54 123.27 49.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 10.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -84.2 160.54 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 10.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' LEU . 28.4 m-85 -144.32 -47.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.26 33.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 10.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.01 51.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.22 -38.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.59 141.58 48.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 10.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 p -136.38 149.03 48.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 10.0 110.068 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -101.34 172.28 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.37 1.044 . . . . 10.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.9 m -145.73 151.74 38.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.385 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.8 p -145.2 179.97 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 10.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.589 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.4 m -144.7 140.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 10.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -112.94 98.1 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 10.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -83.42 -25.45 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -99.5 122.4 51.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 10.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 80.32 2.47 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.542 1.811 . . . . 10.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.27 -140.12 3.78 Favored Glycine 0 CA--C 1.528 0.864 0 O-C-N 124.541 1.15 . . . . 10.0 111.026 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.0 m -140.61 111.47 6.99 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.398 0.705 . . . . 10.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.911 ' CE2' HD13 ' A' ' 56' ' ' LEU . 25.9 m-85 -88.8 160.16 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -142.85 152.55 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CD2' HG23 ' A' ' 41' ' ' ILE . 29.0 p90 -148.58 154.94 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -144.48 125.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.418 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.562 0.22 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.537 ' O ' ' CE2' ' A' ' 81' ' ' TYR . 92.2 t -151.21 -76.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.06 . . . . 10.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.72 150.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 10.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 161.76 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 10.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' THR . 10.7 t -118.52 158.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 10.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' ILE . 87.0 t -139.66 132.45 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.856 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.0 t -110.24 116.08 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.359 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.56 160.36 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 10.0 109.418 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -140.56 148.85 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.675 ' CG2' HG11 ' A' ' 21' ' ' VAL . 37.3 t -137.28 145.74 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.645 1.216 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 145.83 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 10.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.6 mtt -75.04 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 10.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 160.12 21.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 10.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -81.1 141.81 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 10.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -46.52 -47.15 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 10.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.2 t -48.37 -46.6 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 10.0 110.1 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.63 92.6 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 10.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.76 171.94 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 10.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD23 ' SD ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -91.97 53.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 10.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.25 127.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 10.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 37.6 m-85 -81.25 114.24 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -123.49 141.08 35.41 Favored Pre-proline 0 N--CA 1.45 -0.456 0 O-C-N 124.442 1.088 . . . . 10.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 134.82 37.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.954 -2.519 . . . . 10.0 110.991 0.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.419 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 p -56.37 -48.31 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.934 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -104.84 136.69 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.079 . . . . 10.0 110.393 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 5' ' ' VAL . 26.9 m -145.44 141.52 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 10.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.664 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.33 155.97 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 10.0 109.437 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.661 ' N ' HD13 ' A' ' 23' ' ' ILE . 5.1 mttp -103.03 143.19 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.548 1.155 . . . . 10.0 109.332 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 102.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 10.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.12 -14.55 9.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 10.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -179.64 7.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 10.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 29.7 mt-10 -121.53 164.29 17.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 10.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 HG13 ' A' ' 23' ' ' ILE . 2.3 t -133.52 129.87 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 129.07 53.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 10.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.5 m-90 -113.95 99.49 7.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 10.0 108.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.12 148.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -85.81 145.65 27.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.99 -68.81 0.89 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.105 . . . . 10.0 109.235 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -177.51 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.55 68.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 10.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 24.9 p -96.02 151.6 38.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.97 -169.01 6.95 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.068 -2.472 . . . . 10.0 110.977 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.91 118.29 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.585 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.7 OUTLIER -116.58 137.96 51.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.36 1.038 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.646 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -123.54 76.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.9 t -83.12 129.21 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -102.8 127.51 49.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 10.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 162.82 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.625 1.203 . . . . 10.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -118.59 73.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.0 -83.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.75 63.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 10.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 49' ' ' ASP . 12.3 t -121.38 169.73 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 10.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.53 167.76 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 10.0 109.24 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 -46.87 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 10.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -53.16 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 10.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.1 m -53.41 -39.35 64.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 10.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -78.75 -27.44 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.8 81.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.232 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -79.52 -28.96 41.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.962 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -92.42 -2.58 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.7 t -96.14 124.79 40.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 10.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 11.4 m-70 -101.45 100.84 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -42.98 -35.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 40' ' ' ASN . . . 111.01 124.67 4.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 10.0 111.054 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -171.74 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.779 . . . . 10.0 109.237 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.68 127.67 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.7 p90 -156.13 -47.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.22 109.06 17.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 10.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.1 101.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.85 -36.13 0.5 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.524 1.14 . . . . 10.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -81.89 123.91 29.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 10.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 m -131.35 146.09 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.939 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.471 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 4.8 m-85 -103.62 172.25 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 26.9 m -145.19 156.13 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.439 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 p -145.12 176.94 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 110.002 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 m -146.04 113.56 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.3 m-85 -89.14 98.45 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 10.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.02 -54.15 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.87 128.75 75.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.574 1.171 . . . . 10.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 87.45 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 10.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 -150.27 5.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 10.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 m -134.35 105.77 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 10.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.962 ' CE2' HD13 ' A' ' 56' ' ' LEU . 36.8 m-85 -83.25 154.12 24.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.15 . . . . 10.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 m -136.94 139.44 41.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 25.1 p90 -140.5 153.97 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 10.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 1.8 p90 -141.09 161.2 38.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 10.0 108.319 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.608 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 6.0 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.495 0.188 . . . . 10.0 110.965 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 93' ' ' GLY . 75.1 t -75.25 -91.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 10.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.32 124.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 10.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 151.82 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 10.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.67 154.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.5 t -134.09 125.6 48.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 109.199 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.446 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -96.47 156.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.405 1.066 . . . . 10.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 10.0 109.244 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 p30 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -144.35 138.37 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 10.0 109.294 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 3.5 t -123.28 169.31 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 1.203 . . . . 10.0 110.445 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 86.1 t -145.15 161.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 5' ' ' VAL . 6.3 mttt -120.06 143.41 48.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 10.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.693 ' CE ' HD11 ' A' ' 41' ' ' ILE . 33.1 mtt -81.19 95.78 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.51 -130.58 8.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 10.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.93 167.24 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 0.81 . . . . 10.0 109.936 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -7.37 47.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -59.34 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.25 82.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 10.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.19 169.31 17.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 10.0 109.402 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.5 mt -80.67 -51.34 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -44.53 146.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 10.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 3.0 m-30 -99.62 147.04 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tm-20 -143.87 136.67 13.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 110.323 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.99 153.04 98.95 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.933 -2.528 . . . . 10.0 111.004 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -72.84 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.939 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.4 m -117.36 143.74 45.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 10.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.9 145.62 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 137.3 33.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 10.0 110.357 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -142.95 160.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 10.0 109.364 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -110.06 160.84 16.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 10.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 102.82 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.084 . . . . 10.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 -20.43 7.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 10.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.81 -179.22 4.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 10.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.7 pm0 -134.97 171.3 14.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -134.46 150.04 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 3.7 ttpt -114.15 137.8 51.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 10.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.618 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.6 m-90 -124.31 100.8 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.919 -1.141 . . . . 10.0 107.919 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.43 137.91 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 10.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' ' HE3' ' A' ' 7' ' ' MET . 27.7 t-20 -80.65 125.13 29.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 10.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -88.84 -66.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.75 -166.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' SER . 0.8 OUTLIER 63.96 33.07 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.208 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -40.98 162.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.1 -48.47 0.27 Allowed 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.991 -2.504 . . . . 10.0 111.02 0.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.4 m-70 67.11 115.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 10.0 109.659 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.65 172.76 7.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 10.0 109.212 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mt -123.55 63.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -79.42 139.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.797 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -114.32 128.59 56.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 10.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.69 154.42 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 10.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -110.81 78.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.84 -69.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.058 . . . . 10.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.64 -1.11 83.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 10.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 49' ' ' ASP . 3.4 t -121.42 168.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.769 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -69.1 155.01 41.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -65.51 -56.31 13.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 10.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -51.09 -59.43 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -47.91 -58.42 4.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 10.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -51.45 -32.44 26.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.56 -41.48 98.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -54.39 30.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 10.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -67.05 -17.68 65.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 t -75.57 132.81 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 58.1 m-70 -106.46 100.95 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 10.0 109.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -78.76 -35.82 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.78 149.25 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.424 1.078 . . . . 10.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -97.14 126.79 42.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 0.725 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -102.47 128.31 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 10.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 67.8 m-85 -127.31 -64.57 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.401 1.063 . . . . 10.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.55 142.94 38.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 69.39 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 10.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.04 -42.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.08 99.78 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 10.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.2 p -107.67 150.25 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 10.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 12.3 m-85 -112.17 175.73 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.9 m -145.31 153.73 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.277 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -144.98 134.91 23.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.5 m -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 10.0 110.442 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.751 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.9 m-85 -88.22 97.96 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 10.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.08 -16.68 37.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.18 124.57 33.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.12 84.36 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.554 1.818 . . . . 10.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.47 -150.17 5.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 10.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 m -129.58 118.39 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 0.816 . . . . 10.0 110.306 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 56' ' ' LEU . 64.9 m-85 -100.48 144.4 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 10.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 m -131.32 140.95 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 10.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 17.3 p90 -132.63 155.28 49.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -156.4 161.55 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 10.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.543 ' HB2' ' HE3' ' A' ' 91' ' ' MET . 1.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 10.0 108.203 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 16' ' ' PHE . 12.8 mtm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.512 0.196 . . . . 10.0 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.53 123.8 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 10.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.59 131.75 1.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -144.91 147.38 32.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 10.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.83 162.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.4 t -141.53 120.64 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 10.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -97.33 121.81 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -88.03 148.11 24.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 15.3 t -139.24 150.49 45.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 10.0 110.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.97 128.38 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -83.18 125.49 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.623 1.202 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.606 ' SD ' HD11 ' A' ' 41' ' ' ILE . 33.0 mtm -73.5 85.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 10.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.54 171.7 18.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 5.7 m -97.66 147.77 24.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 10.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -47.04 -62.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.99 -54.82 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 109.95 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 71.03 0.1 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.559 1.162 . . . . 10.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.49 146.32 49.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 0.802 . . . . 10.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 75.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 17.8 m -137.4 179.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.628 1.205 . . . . 10.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -145.18 114.19 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.392 1.057 . . . . 10.0 111.052 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.3 139.1 14.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.568 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.07 141.8 72.78 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.986 -2.506 . . . . 10.0 111.001 0.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -62.65 -40.36 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -120.59 140.34 51.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 10.0 110.366 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' PRO . 29.6 m -138.35 151.49 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 10.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.32 140.3 29.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 10.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG23 HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -145.11 159.15 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 109.298 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -104.13 156.71 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -71.45 100.9 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 10.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.13 -14.76 8.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 10.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -75.2 179.1 5.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 0.754 . . . . 10.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.946 ' HG3' HG23 ' A' ' 72' ' ' THR . 1.5 mt-10 -128.55 165.71 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 10.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 70' ' ' THR . 2.9 t -128.42 162.74 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 10.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -134.58 125.99 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 10.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.53 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -114.81 99.55 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 10.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.67 143.78 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -76.97 138.9 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -108.55 -69.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 10.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.98 -175.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 10.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp 65.6 70.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.362 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -88.54 160.43 44.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.1 -174.6 14.44 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 10.0 110.964 0.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.03 128.54 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' ' N ' ' A' ' 40' ' ' ASN . 1.1 m-80 -137.16 142.0 42.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -117.01 72.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 74.3 t -82.65 134.82 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.238 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.4 m-85 -110.63 123.19 49.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 10.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.757 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.64 155.48 31.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 10.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.94 77.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 10.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -80.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.01 7.85 78.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -126.1 160.95 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.422 0.719 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 157.76 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.14 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 10.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -62.58 -55.54 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.632 1.208 . . . . 10.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -48.29 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 110.422 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.7 -28.17 69.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.45 -42.49 82.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 10.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -30.85 65.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 10.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -90.33 -5.88 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 10.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.5 t -93.3 117.44 30.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 21.5 m-70 -92.57 103.62 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 10.0 109.52 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -97.98 36.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.302 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.18 169.75 13.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.65 125.22 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 10.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.49 120.07 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 10.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 27.8 p90 -143.86 -45.08 0.27 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.634 1.209 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.07 102.07 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 109.22 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 111.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.93 -32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.567 1.167 . . . . 10.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -92.7 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 10.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 159.81 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.988 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 8.6 m-85 -117.95 171.22 8.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 10.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.5 m -145.29 154.77 42.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 10.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 56' ' ' LEU . 2.5 p -141.11 179.62 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.946 HG23 ' HG3' ' A' ' 28' ' ' GLU . 2.1 m -144.76 120.68 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.5 m-85 -95.2 98.55 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 10.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 m -88.32 -26.59 22.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 121.44 61.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 10.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.95 79.71 2.58 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.488 1.783 . . . . 10.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.0 -138.83 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.095 . . . . 10.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -142.56 108.19 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 10.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.83 ' CE2' HG11 ' A' ' 48' ' ' VAL . 43.4 m-85 -87.27 157.14 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 10.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -133.64 152.09 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 10.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 41' ' ' ILE . 26.9 p90 -159.09 169.28 24.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.757 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -168.17 -176.6 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 10.0 110.946 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 10.0 108.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.55 0.214 . . . . 10.0 110.951 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -174.98 -92.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.77 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 70.2 153.87 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 10.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.08 165.66 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 0.82 . . . . 10.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 96' ' ' VAL . 39.1 t -114.14 164.83 9.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.546 1.153 . . . . 10.0 109.259 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.461 ' N ' HG12 ' A' ' 95' ' ' VAL . 92.4 t -144.04 119.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.629 1.206 . . . . 10.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -92.58 156.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 10.0 109.354 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -142.71 154.2 44.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 10.0 109.364 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -142.17 154.99 45.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 10.0 110.447 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.955 HG22 ' HD2' ' A' ' 18' ' ' PRO . 84.3 t -136.57 139.42 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.54 140.69 30.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 10.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 41' ' ' ILE . 12.5 mtt -75.69 93.42 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 157.48 33.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.137 . . . . 10.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -79.83 148.38 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 10.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -41.68 -56.94 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 10.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -43.96 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 10.0 110.08 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.75 62.98 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 10.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.3 150.32 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 61.52 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 10.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' H ' ' A' ' 16' ' ' PHE . 2.1 p -152.45 -165.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.755 ' H ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-85 -141.57 151.71 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 10.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 mp0 -144.55 135.04 12.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 110.249 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.955 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.08 133.93 33.62 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.931 -2.529 . . . . 10.0 111.019 -0.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 8.0 t -38.02 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 10.0 110.022 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -126.75 136.7 52.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -134.04 162.17 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.58 140.33 32.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 10.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.691 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.1 151.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 10.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.61 166.07 11.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 10.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.21 90.77 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.67 -28.16 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 10.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.74 -179.56 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.69 174.78 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.758 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 18.2 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 10.0 109.374 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 133.86 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 10.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.758 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.2 m-90 -122.29 99.64 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.0 132.77 31.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 10.0 109.23 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.09 127.65 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 10.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -106.33 -66.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -167.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.8 70.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 10.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -121.85 161.98 39.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 10.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 162.71 92.25 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.876 0.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -179.01 147.43 0.35 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.47 1.106 . . . . 10.0 109.554 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.429 HD21 ' HA ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -131.58 -174.48 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.3 mt -127.02 81.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 10.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 48.7 t -79.51 147.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 109.412 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -123.06 130.4 52.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.08 161.21 28.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.323 1.014 . . . . 10.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -129.16 74.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -79.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.78 88.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -117.48 160.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 10.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 161.51 11.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -73.78 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -49.25 -56.97 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 10.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -47.77 -57.02 6.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.42 -25.15 67.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.78 -53.85 34.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.51 -42.19 95.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.941 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.9 mt -74.25 -18.79 60.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 10.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.1 t -83.63 113.35 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 12.9 m-70 -75.1 102.45 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 10.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -21.25 19.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.14 90.63 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.58 1.175 . . . . 10.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -49.99 139.4 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 0.713 . . . . 10.0 109.373 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.63 162.6 14.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 10.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -143.67 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 10.0 111.061 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.645 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -84.2 125.51 32.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 10.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.0 79.55 1.19 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -174.36 -39.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 10.0 111.046 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.645 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 3.2 mp0 -78.42 104.61 9.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.531 0.783 . . . . 10.0 110.376 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -93.84 161.33 14.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 10.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.452 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 24.6 m-85 -115.25 171.82 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -145.35 150.24 36.23 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 10.0 110.362 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.2 p -145.22 128.9 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 10.0 109.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -100.19 136.65 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.626 1.204 . . . . 10.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 40.7 m-85 -115.25 99.57 7.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 10.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -85.44 -6.66 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 10.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -123.37 142.94 39.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.519 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.9 169.7 22.02 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.55 1.816 . . . . 10.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.8 174.76 13.9 Favored Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.602 1.189 . . . . 10.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 3.0 m -111.08 121.98 46.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 10.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.826 ' CE2' HG11 ' A' ' 48' ' ' VAL . 92.5 m-85 -103.22 160.39 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 94' ' ' LYS . 26.3 m -144.16 145.56 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 10.0 110.483 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 18.8 p90 -130.18 137.68 50.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 10.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 14.5 p90 -129.64 99.31 5.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 10.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.6 1.187 . . . . 10.0 108.229 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.506 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 24.3 mtt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.579 0.228 . . . . 10.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 93' ' ' GLY . 2.1 p -83.04 -149.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.793 ' N ' HG13 ' A' ' 92' ' ' VAL . . . 100.6 132.76 7.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.392 1.057 . . . . 10.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 80' ' ' THR . 1.9 pttm -144.19 148.61 35.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 10.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' THR . 1.6 t -105.62 151.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.6 t -124.42 126.4 71.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.691 HG22 ' CG2' ' A' ' 23' ' ' ILE . 15.7 t -107.55 116.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.498 1.124 . . . . 10.0 109.405 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -109.29 113.44 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 t -119.29 160.65 21.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 10.0 110.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 16' ' ' PHE . 54.3 t -142.22 138.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 2.1 pttt -84.79 107.45 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 mtt -40.48 110.58 0.16 Allowed 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.44 1.088 . . . . 10.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LYS . . . 80.24 167.66 36.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 10.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -83.67 150.1 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.6 -56.19 12.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.88 -55.29 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 10.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.31 86.41 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.44 -171.52 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 10.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.85 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -42.35 123.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.735 ' CD1' HG11 ' A' ' 5' ' ' VAL . 5.1 p90 -86.81 137.15 32.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 10.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.0 mt-10 -121.26 141.08 32.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 10.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.6 Cg_endo -74.91 131.92 25.78 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.977 -2.51 . . . . 10.0 111.078 -0.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 87.6 p -52.36 -46.47 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.3 m -115.88 130.06 56.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.694 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.9 t -128.33 169.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.422 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -115.36 140.15 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 110.411 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.706 HD12 HG23 ' A' ' 29' ' ' VAL . 7.9 tt -144.75 160.62 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -93.13 176.76 6.29 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.451 1.094 . . . . 10.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.07 96.75 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 10.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.94 -10.87 5.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 10.0 111.06 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -78.97 -179.41 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 10.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -127.83 163.48 24.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 10.0 110.26 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.706 HG23 HD12 ' A' ' 23' ' ' ILE . 12.2 t -124.0 157.54 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 10.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -131.46 130.06 41.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -120.71 99.34 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 10.0 107.998 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 p -92.89 144.11 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 10.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.11 127.31 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -100.7 -67.53 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 10.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.88 -170.06 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.86 62.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 9.8 p -86.12 152.65 56.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.1 -172.12 10.35 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.027 -2.489 . . . . 10.0 110.938 0.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.774 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -157.89 93.73 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 109.604 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -93.88 162.93 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 81' ' ' TYR . 3.6 mt -146.45 66.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 7.3 t -79.91 130.39 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.7 m-85 -101.71 138.58 38.5 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.374 1.046 . . . . 10.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.18 157.35 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.14 78.18 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 109.383 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -107.79 103.64 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 10.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.88 -40.62 3.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 10.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 49' ' ' ASP . 21.3 t -82.42 165.2 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 0.723 . . . . 10.0 109.251 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -62.67 167.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 10.0 109.379 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.54 -51.98 6.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.07 . . . . 10.0 109.232 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.82 -38.74 56.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 10.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 m -67.17 -59.23 3.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 10.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.74 -30.57 23.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 10.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -75.75 -25.03 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.848 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -96.0 0.23 51.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 10.0 109.37 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 t -94.84 130.83 41.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 3.6 m170 -108.76 99.77 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 109.584 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -40.11 -30.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 10.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' HIS . . . 108.35 -140.8 15.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 10.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.2 41.31 0.3 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 0.775 . . . . 10.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -108.51 107.98 18.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 10.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -139.59 -44.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 116.72 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 10.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.67 163.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 10.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.41 -40.71 3.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 10.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -84.51 103.14 13.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 0.751 . . . . 10.0 110.274 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.6 p -115.7 172.04 7.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 10.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -120.9 169.72 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 10.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' VAL . 85.5 m -145.74 149.44 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.2 p -145.78 141.34 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 10.0 110.039 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.2 m -99.98 130.48 46.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.932 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.4 m-30 -100.2 99.03 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 10.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -51.91 5.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 10.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.28 120.82 83.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.04 72.98 4.49 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.537 1.809 . . . . 10.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.52 5.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 10.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -136.3 108.46 7.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 10.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.848 ' CE2' HD13 ' A' ' 56' ' ' LEU . 67.7 m-85 -90.35 148.96 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -138.03 148.25 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 10.0 110.41 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.53 ' HE2' HG23 ' A' ' 95' ' ' VAL . 20.0 p90 -151.92 169.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 10.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 42' ' ' VAL . 4.1 p90 -136.27 167.04 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 10.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 108.305 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.513 0.197 . . . . 10.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.56 -165.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 10.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.53 126.45 4.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 10.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -145.31 179.39 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 81' ' ' TYR . 5.6 t -119.36 159.23 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.57 116.42 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 10.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.932 HG22 ' CD2' ' A' ' 73' ' ' PHE . 3.8 t -78.32 149.71 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 10.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 7.8 t70 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 10.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p30 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -81.22 155.22 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -146.64 164.89 31.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 10.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 21' ' ' VAL . 38.3 t -145.45 153.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -109.48 126.13 53.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.487 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 9.2 mtt -67.99 96.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.97 171.91 32.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 10.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -77.35 173.05 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 10.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -5.38 59.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 10.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -102.19 -55.58 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.949 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.97 72.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 10.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -131.47 -179.31 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 10.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.86 -61.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 10.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -43.15 138.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 7' ' ' MET . 4.8 m-30 -86.51 149.15 25.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 10.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.8 tm-20 -139.44 129.84 14.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 132.8 28.78 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 121.04 -2.484 . . . . 10.0 110.975 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.411 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.4 p -51.01 -53.42 33.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 109.935 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -105.96 141.49 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 10.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 5' ' ' VAL . 33.1 m -145.21 141.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.69 140.64 29.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 10.0 110.332 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.807 ' CG2' HG22 ' A' ' 97' ' ' VAL . 2.2 tt -135.84 153.18 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 10.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 23' ' ' ILE . 4.7 mmtt -90.69 165.16 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 10.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 120.27 18.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.13 -20.73 35.01 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.546 1.154 . . . . 10.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.0 mt-10 -75.39 179.11 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.804 . . . . 10.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' OE1' HG21 ' A' ' 70' ' ' THR . 0.5 OUTLIER -133.74 178.41 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 10.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.5 t -128.49 133.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -105.22 121.41 43.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 10.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.741 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 19.0 m-90 -106.73 99.69 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 10.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -88.4 130.75 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -78.86 99.96 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 10.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -77.25 -63.17 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.586 1.179 . . . . 10.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -168.04 2.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 10.0 109.333 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.9 mm? 61.47 66.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 109.22 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 11.6 p -99.0 152.33 37.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 10.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.066 -2.472 . . . . 10.0 111.039 -0.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.82 132.21 7.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.517 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -127.67 121.75 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.726 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.4 mt -100.1 77.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.378 1.049 . . . . 10.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 43.4 t -83.89 146.98 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.726 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.4 m-85 -122.11 133.74 54.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 10.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.3 154.17 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.294 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.12 76.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.4 26.15 9.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 10.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -142.82 163.06 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 0.774 . . . . 10.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.14 175.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.06 -44.77 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -43.94 88.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -67.86 -52.96 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.433 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.57 -29.71 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 10.0 109.165 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.81 40.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 10.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.28 -50.69 72.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 10.0 109.379 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.179 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 4.9 mt -68.4 -14.27 62.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 10.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 7.2 t -87.94 103.85 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 10.0 110.026 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.2 m-70 -75.39 103.1 5.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 10.0 109.549 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -93.48 35.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.13 -167.36 14.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.45 120.72 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.78 126.46 34.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.96 -66.84 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -75.13 135.74 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.08 90.74 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 10.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.68 -33.02 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.58 1.175 . . . . 10.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -83.47 100.86 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 10.0 110.264 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.4 p -105.63 155.32 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.435 1.084 . . . . 10.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.2 m-85 -108.72 173.06 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 10.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.507 HG21 ' OE1' ' A' ' 28' ' ' GLU . 8.0 m -144.76 149.13 34.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 10.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.733 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.1 p -145.0 127.01 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 10.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -102.73 141.96 34.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 10.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.179 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 54.1 m-85 -120.07 99.38 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -0.78 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -135.9 133.08 19.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 10.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -75.03 151.03 38.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 10.0 111.007 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.25 -149.19 15.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 10.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m -145.16 102.28 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 10.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.745 ' CE2' HG11 ' A' ' 48' ' ' VAL . 87.7 m-85 -94.01 162.18 13.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.9 m -138.75 144.14 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 10.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 p90 -138.45 152.34 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 10.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 8.1 p90 -144.78 165.11 29.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 108.368 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.429 ' C ' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.507 0.194 . . . . 10.0 110.993 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' GLY . 91.3 t -42.78 -28.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 91' ' ' MET . . . -35.82 123.93 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 10.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -142.47 179.07 7.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 10.0 109.319 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.61 159.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.03 100.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.807 HG22 ' CG2' ' A' ' 23' ' ' ILE . 4.9 t -85.99 131.42 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 10.0 109.357 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -142.05 146.71 35.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -139.34 143.8 37.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 10.0 110.415 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG22 ' HD2' ' A' ' 18' ' ' PRO . 21.9 t -125.48 162.75 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 10.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -110.85 116.5 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 10.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.774 ' HG2' HD11 ' A' ' 41' ' ' ILE . 33.6 mtt -36.57 -63.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 10.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.37 158.91 15.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -78.91 165.35 23.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 10.0 109.965 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -39.6 -50.67 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -100.83 45.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 10.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 38.77 61.98 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 10.0 111.06 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -96.37 169.11 10.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 10.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.738 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.6 mm? -75.38 -172.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 10.0 109.309 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 14' ' ' LEU . 6.5 m 50.16 -179.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 10.0 109.389 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -130.4 152.36 49.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.97 137.17 20.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.552 1.157 . . . . 10.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.833 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 138.54 56.66 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.968 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -35.06 -52.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 10.0 110.065 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.6 m -125.44 149.02 48.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.833 HG12 ' HG2' ' A' ' 18' ' ' PRO . 19.6 m -134.46 164.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 10.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.5 139.31 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 10.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.941 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -143.88 151.97 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.885 ' H ' HD13 ' A' ' 23' ' ' ILE . 6.7 mmtt -109.23 163.93 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 10.0 109.374 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.51 87.48 3.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 10.0 109.367 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.15 -29.63 1.65 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.118 . . . . 10.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.85 -179.54 6.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 10.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -135.41 176.48 8.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 10.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.587 ' HB ' ' CH2' ' A' ' 31' ' ' TRP . 79.5 t -126.62 147.88 31.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -112.52 133.79 54.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 10.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CH2' ' HB ' ' A' ' 29' ' ' VAL . 21.6 m-90 -122.27 101.42 7.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.2 139.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 10.0 109.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.36 108.76 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.01 -76.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 10.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 179.34 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.99 63.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 28.4 p -86.76 151.5 52.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 10.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 -170.55 8.37 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.997 -2.501 . . . . 10.0 110.969 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.63 153.53 28.71 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 10.0 109.549 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.427 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 1.9 m120 -153.18 155.83 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 10.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.774 HD11 ' HG2' ' A' ' 7' ' ' MET . 20.3 mt -135.9 61.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.73 130.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 10.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.1 m-85 -97.02 144.99 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 10.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.45 131.95 44.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 10.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -107.55 85.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -69.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.11 4.07 82.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 10.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 79' ' ' TYR . 18.0 t -119.5 168.45 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.461 0.741 . . . . 10.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -69.72 142.35 53.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 10.0 109.226 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -69.08 -41.51 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.626 1.204 . . . . 10.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -58.86 -68.26 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.408 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -48.26 -39.54 21.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.325 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -71.78 -28.91 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 10.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -56.37 -57.55 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.086 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 10.6 mt -84.84 -7.07 59.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 10.2 p -90.68 122.36 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 14.7 m-70 -100.08 101.44 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.79 -26.47 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 10.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 40' ' ' ASN . . . 98.03 -135.62 12.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 10.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 79.44 41.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 10.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.74 117.97 35.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 54.8 m-85 -121.49 -56.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.387 1.054 . . . . 10.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 140.01 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 10.0 109.176 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.56 73.52 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.36 -41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.444 1.09 . . . . 10.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.32 104.25 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 10.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.3 p -105.98 159.02 16.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 16.1 m-85 -115.85 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 10.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 45.3 m -145.07 150.71 37.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 10.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.723 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.6 p -145.29 133.68 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.434 ' O ' HD21 ' A' ' 56' ' ' LEU . 1.5 m -107.64 142.38 37.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.086 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 52.2 m-85 -120.58 100.27 7.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.96 -29.47 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 13.1 mm-40 -102.86 143.58 26.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 10.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.3 Cg_endo -75.0 164.9 32.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 10.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.7 16.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 10.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' VAL . 32.0 m -112.79 137.18 51.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 10.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 48' ' ' VAL . 89.2 m-85 -119.84 163.69 17.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 10.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 m -142.58 141.61 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.325 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.636 ' CD2' HG23 ' A' ' 41' ' ' ILE . 34.6 p90 -142.84 161.52 37.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 10.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 10.0 108.336 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.432 0.158 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.86 143.37 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.6 133.25 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 10.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -144.61 153.78 42.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 10.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 78' ' ' THR . 3.2 t -112.07 156.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 10.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 23' ' ' ILE . 66.9 t -129.55 117.56 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 10.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.941 HG22 ' CG2' ' A' ' 23' ' ' ILE . 21.2 t -100.79 101.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.179 . . . . 10.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -111.67 129.47 56.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 10.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 t -119.47 150.2 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 10.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.613 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.6 t -137.68 112.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.78 114.83 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.468 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 30.6 mtt -57.47 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 10.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' HB1' ' A' ' 13' ' ' ALA . . . 86.39 176.91 49.69 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.473 1.108 . . . . 10.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.396 0.704 . . . . 10.0 109.961 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 t70 -39.31 -42.12 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.774 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -37.87 -36.2 0.3 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.537 1.148 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . 68.1 118.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 10.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.3 tp -145.1 -61.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 16' ' ' PHE . 3.1 m -70.02 -157.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 6.1 p90 -145.14 129.52 17.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 10.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 13.0 tt0 -144.43 135.12 12.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 10.0 110.308 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.613 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.99 148.37 91.59 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.029 0.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 12.2 p -43.8 -42.83 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.945 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.7 m -138.6 162.81 33.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 10.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.691 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -142.01 137.6 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 10.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.46 129.25 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 10.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.676 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -126.21 162.05 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 10.0 109.272 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' H ' HD13 ' A' ' 23' ' ' ILE . 14.9 mttt -108.52 150.89 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 10.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 96.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 10.0 109.38 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.11 -23.11 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 23' ' ' ILE . 51.5 mm-40 -74.67 -179.68 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.392 0.701 . . . . 10.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -134.12 168.46 18.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 10.0 110.25 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.676 HG23 HG13 ' A' ' 23' ' ' ILE . 2.4 t -127.19 145.66 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 10.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 117.84 33.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.445 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 13.7 m-90 -101.65 100.09 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.01 145.68 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 10.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -86.97 101.0 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -66.76 -67.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -171.57 177.27 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 10.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 79.37 49.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 10.0 109.379 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 19.1 p -64.87 151.91 91.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 17.9 Cg_endo -75.06 -167.34 5.58 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.928 -2.53 . . . . 10.0 110.96 0.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.27 112.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 109.536 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 44.0 t30 -122.59 150.61 42.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.454 1.096 . . . . 10.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -125.84 78.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 13.3 t -83.6 132.86 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 4.4 m-85 -110.03 142.81 40.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 10.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 147.52 27.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 10.0 109.379 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 73.27 10.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.63 1.207 . . . . 10.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.15 100.31 11.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 10.0 109.225 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.38 -37.93 3.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 10.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.7 t -85.33 166.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 10.0 109.264 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.61 157.41 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 10.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.31 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.62 1.2 . . . . 10.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.806 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.71 -44.7 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -56.23 -52.57 63.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 10.0 110.43 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.44 -13.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.05 -60.68 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 10.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' HD23 ' A' ' 56' ' ' LEU . 3.9 ptpt -60.23 -38.08 82.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.27 -27.77 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -74.77 130.2 39.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 10.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 85.7 m-70 -105.41 101.0 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.345 1.028 . . . . 10.0 109.544 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.57 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.23 -31.45 5.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 10.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.96 124.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 10.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . . . -116.85 160.76 20.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 10.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -158.78 -44.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -77.73 107.59 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.216 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.36 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 10.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 164.74 -45.41 0.3 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.15 113.32 12.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.68 134.15 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 2.1 m-85 -89.22 177.55 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 10.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 m -145.22 145.26 31.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 10.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.478 ' HB2' HD22 ' A' ' 56' ' ' LEU . 1.4 p -139.19 134.2 32.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 10.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.535 ' O ' HD21 ' A' ' 56' ' ' LEU . 47.4 m -102.55 128.86 49.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.543 1.152 . . . . 10.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.4 m-85 -95.33 97.95 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 10.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -38.88 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 10.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.01 124.52 61.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 10.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.454 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.95 85.35 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 10.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.3 -148.09 5.1 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.626 1.204 . . . . 10.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -134.04 99.49 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 10.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 69.6 m-85 -80.54 146.64 31.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 10.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -126.32 147.6 49.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 10.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' VAL . 3.7 p90 -151.16 154.77 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.173 . . . . 10.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 40.5 p90 -146.16 119.49 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 10.0 110.98 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 10.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.587 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 ttt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.44 0.162 . . . . 10.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 81' ' ' TYR . 13.4 m -132.17 -56.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.535 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 60.54 142.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 10.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -138.49 172.13 13.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 10.0 109.245 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.69 160.73 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.17 123.45 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.587 HG13 HG23 ' A' ' 23' ' ' ILE . 2.2 t -97.2 146.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.821 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -113.4 107.49 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t -112.52 158.24 20.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 110.451 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -142.47 132.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.624 ' HB2' HD21 ' A' ' 34' ' ' ASN . 10.6 ptpt -72.85 113.16 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.696 ' CE ' HD11 ' A' ' 41' ' ' ILE . 1.5 ttm -73.95 71.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 10.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.3 -174.29 15.59 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 10.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -85.58 169.18 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 0.721 . . . . 10.0 109.967 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.5 t70 -34.05 -47.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 10.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.23 89.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 10.0 110.07 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . . . 155.03 -68.04 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.142 . . . . 10.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.2 166.71 22.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.757 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.673 ' HB2' HD13 ' A' ' 36' ' ' LEU . 1.2 tt -119.57 88.52 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.88 154.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 10.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 91' ' ' MET . 3.2 p90 -126.05 100.87 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 10.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.6 mt-10 -138.4 142.63 35.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.02 133.54 31.88 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 10.0 111.037 0.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.443 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 5.1 t -43.63 -52.29 6.45 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.479 1.112 . . . . 10.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 m -115.27 141.36 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.349 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' HG2' ' A' ' 18' ' ' PRO . 33.2 m -133.25 168.06 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.202 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.92 128.97 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 29' ' ' VAL . 2.9 tt -126.43 154.9 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 10.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 23' ' ' ILE . 9.4 mmtt -86.49 164.85 16.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 10.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.47 73.64 7.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 10.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.47 -28.12 0.38 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 10.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' C ' HD11 ' A' ' 23' ' ' ILE . 31.4 mt-10 -74.96 -179.98 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 10.0 110.36 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CD ' HG23 ' A' ' 72' ' ' THR . 1.0 OUTLIER -130.69 178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 3' ' ' ALA . 17.4 t -125.79 141.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -113.08 117.03 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 10.0 109.249 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 11.0 m-90 -104.27 99.36 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 10.0 107.961 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 68' ' ' SER . 70.2 t -88.89 133.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 33' ' ' ASN . 20.7 t-20 -75.46 100.9 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.624 HD21 ' HB2' ' A' ' 6' ' ' LYS . 2.8 t-20 -62.28 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.86 -172.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 14' ' ' LEU . 16.2 mt 66.21 69.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.227 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -87.84 155.36 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 10.0 110.1 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 -168.72 6.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.951 -2.521 . . . . 10.0 111.018 0.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' HE1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -158.95 130.12 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 10.0 109.594 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.471 ' CB ' ' HA3' ' A' ' 60' ' ' GLY . 1.9 m120 -125.76 163.8 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 81' ' ' TYR . 5.8 mt -148.53 69.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 10.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 t -80.09 134.7 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.4 m-85 -106.55 142.73 35.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.88 156.75 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.23 79.27 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -99.97 76.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 10.0 109.243 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -21.43 36.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 10.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -98.02 157.37 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 151.58 22.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.39 -53.16 20.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.221 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -46.26 -58.45 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -52.11 -42.06 62.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -65.7 -30.61 71.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -70.21 -23.59 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.62 -22.63 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.153 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 5.8 mt -104.96 2.99 30.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 10.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.5 t -96.72 113.31 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.9 m170 -90.49 103.76 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -25.33 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.246 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 93.28 -147.85 18.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.119 . . . . 10.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER 87.32 39.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 10.0 109.328 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.95 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 10.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.17 -63.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.79 140.34 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.89 50.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 10.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.18 -41.57 0.1 OUTLIER Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.516 1.135 . . . . 10.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.35 112.22 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 10.0 110.223 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.5 p -108.71 145.36 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.939 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -94.89 173.86 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 10.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.0 m -145.19 145.09 31.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.849 ' HB2' HD23 ' A' ' 56' ' ' LEU . 3.3 p -145.3 129.46 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 10.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.458 HG23 ' CD ' ' A' ' 28' ' ' GLU . 1.9 m -101.2 137.14 39.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 110.386 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.153 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 43.3 m-85 -119.32 99.47 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -20.4 32.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 10.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' OE1' HG13 ' A' ' 48' ' ' VAL . 31.6 tt0 -107.54 134.22 20.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.88 15.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 10.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.3 157.14 9.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.607 1.192 . . . . 10.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 96' ' ' VAL . 1.6 m -89.26 125.5 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 0.837 . . . . 10.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.678 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 87.9 m-85 -109.14 158.3 17.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 10.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.7 m -136.94 148.09 46.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 41' ' ' ILE . 41.5 p90 -151.82 153.61 34.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.75 -150.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 8.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 10.0 108.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.547 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.53 0.205 . . . . 10.0 110.951 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.801 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -152.56 -83.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 10.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.801 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 65.54 152.19 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 10.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.44 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 10.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 96' ' ' VAL . 18.1 t -94.58 164.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG22 ' OG1' ' A' ' 78' ' ' THR . 40.4 t -142.65 107.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.634 1.209 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 73' ' ' PHE . 2.4 t -92.96 117.95 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 10.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -93.99 151.78 19.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.646 1.217 . . . . 10.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 t -143.81 148.56 35.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.611 1.194 . . . . 10.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.486 HG22 ' HD2' ' A' ' 18' ' ' PRO . 9.0 t -134.96 161.93 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 10.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -114.52 126.17 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.536 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.7 mpp? -71.25 73.75 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 10.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.18 154.84 9.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 10.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.759 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -74.64 156.02 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 10.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.79 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 10.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 m -39.12 -57.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 10.0 110.057 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.06 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.545 1.153 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -137.67 173.69 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 10.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.1 pp -127.04 83.84 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.53 -171.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 92' ' ' VAL . 2.1 p90 -134.07 108.66 8.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 10.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.62 139.45 33.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.148 . . . . 10.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.01 138.25 54.98 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 111.032 0.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PRO . 83.7 p -37.56 -42.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -128.84 131.77 47.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.924 HG12 ' HG2' ' A' ' 18' ' ' PRO . 18.6 m -123.0 151.5 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 10.0 109.343 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -102.3 143.07 32.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.325 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.963 HG23 HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.56 145.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 10.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' O ' HD13 ' A' ' 23' ' ' ILE . 21.2 mttt -87.88 163.1 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.36 113.76 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.79 -31.4 5.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -74.42 -179.46 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 10.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.87 173.15 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.771 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 23.1 t -119.67 152.5 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 10.0 109.239 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.41 125.94 49.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.771 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 25.3 m-90 -116.39 99.47 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 10.0 108.0 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.6 148.68 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 10.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -87.45 130.95 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.17 -80.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 10.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.648 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -161.24 -178.55 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 35' ' ' LYS . 6.2 mp 66.05 67.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -83.33 160.69 59.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.993 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.07 -174.55 14.35 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.979 -2.509 . . . . 10.0 110.99 0.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -161.13 95.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.674 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.576 ' OD1' HG23 ' A' ' 42' ' ' VAL . 10.8 p30 -104.57 151.41 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 10.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.722 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -118.5 71.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' OD1' ' A' ' 40' ' ' ASN . 95.8 t -82.61 130.92 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.722 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.3 m-85 -103.44 141.1 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.17 141.22 32.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.89 76.69 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.0 104.39 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.67 3.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.604 1.19 . . . . 10.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.567 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.8 t -78.85 165.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.26 165.43 2.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 10.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -81.18 -67.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -40.08 -51.74 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -50.91 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -46.22 -53.84 9.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 10.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.97 -52.26 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 10.0 109.285 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.52 -57.4 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.085 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 3.9 mt -63.7 -12.65 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.644 1.215 . . . . 10.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.1 p -81.52 122.49 27.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.937 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 27.8 m-70 -90.4 102.2 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 10.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.52 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.68 -29.62 5.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 10.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.07 118.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 0.757 . . . . 10.0 109.389 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 63' ' ' PHE . . . -87.11 174.66 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 10.0 109.386 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' ALA . 55.4 m-85 -164.14 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.61 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.05 85.49 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 10.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -32.53 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 10.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.46 99.93 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.809 . . . . 10.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.83 153.43 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -113.79 174.31 5.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 23.7 m -144.49 152.45 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 10.0 110.481 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.591 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.5 p -145.44 133.39 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 10.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 138.52 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.085 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 37.7 m-85 -119.04 98.86 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 10.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.97 -25.61 40.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -107.59 131.77 21.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 144.89 30.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 10.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.73 -171.43 36.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 10.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.1 m -115.4 123.95 49.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 10.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.714 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 91.2 m-85 -111.8 164.02 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' GLY . 51.9 m -135.92 150.51 49.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' A' ' 41' ' ' ILE . 14.8 p90 -152.32 163.01 40.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.58 177.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.47 ' HB2' ' HE2' ' A' ' 91' ' ' MET . 41.9 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 10.0 108.308 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.47 ' HE2' ' HB2' ' A' ' 83' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.441 0.163 . . . . 10.0 111.054 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 4.7 m -152.42 125.83 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 10.0 109.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.493 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . -117.39 178.6 17.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -144.76 140.07 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 10.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.7 t -107.49 161.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 10.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 23' ' ' ILE . 77.8 t -132.58 120.82 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 10.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.963 HG13 HG23 ' A' ' 23' ' ' ILE . 1.8 t -115.02 134.69 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 10.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 10.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -130.22 132.63 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.232 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -138.85 148.81 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.2 t -139.2 149.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 10.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -103.68 121.35 42.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 10.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.491 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.1 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 10.0 110.963 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.53 151.14 11.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 10.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -82.29 138.05 34.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 10.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -42.61 -56.23 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 10.0 109.371 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -59.73 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 10.0 110.048 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.68 62.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 10.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.88 167.41 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 0.813 . . . . 10.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.66 53.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.44 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 10.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.499 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 50.8 m-85 -76.51 115.21 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 10.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 5.8 tt0 -127.93 136.14 28.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 110.362 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 138.47 56.28 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.994 -0.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -53.13 -49.21 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 10.0 110.034 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -104.53 142.3 34.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 10.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 2.8 m -143.17 146.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.537 1.148 . . . . 10.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -82.48 142.62 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 10.0 110.32 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.895 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -144.79 157.44 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.835 ' H ' HD13 ' A' ' 23' ' ' ILE . 1.1 mmtp -110.77 159.26 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.24 96.49 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 10.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.48 -15.33 8.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.411 1.07 . . . . 10.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB2' HD13 ' A' ' 23' ' ' ILE . 4.9 mp0 -74.8 -179.94 4.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 10.0 110.371 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 72' ' ' THR . 5.1 mt-10 -128.3 164.01 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 10.0 110.291 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 ' HB3' ' A' ' 3' ' ' ALA . 27.5 t -133.86 136.6 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 139.96 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 10.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.511 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 7.4 m-90 -123.1 99.76 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.5 t -86.4 136.48 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.07 139.46 36.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -111.29 -66.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.624 1.203 . . . . 10.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -161.46 -169.22 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 10.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.29 70.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 10.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 16.0 m -93.14 149.69 37.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 10.0 110.034 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.04 -166.45 4.9 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.964 0.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -156.38 118.65 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.609 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -121.11 142.27 50.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 10.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.0 mt -123.89 69.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.71 142.8 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.753 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -116.28 139.1 50.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.11 148.15 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.76 75.98 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.77 104.9 15.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.95 -41.99 3.13 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 49' ' ' ASP . 38.9 t -83.57 168.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 0.733 . . . . 10.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 48' ' ' VAL . 22.2 m-20 -62.67 170.97 2.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 109.364 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.32 -63.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 10.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.87 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 m-20 -45.39 -45.46 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -55.15 -64.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.418 1.074 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.66 -24.64 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.87 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.15 -62.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.402 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -56.95 -36.6 70.46 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.338 1.024 . . . . 10.0 109.274 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.18 -26.17 63.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 10.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 35.8 t -77.73 141.06 39.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 31.7 m-70 -105.26 99.67 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.172 . . . . 10.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -97.32 34.79 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.36 -130.8 6.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 10.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER 179.39 122.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 10.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.63 128.63 53.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -144.71 -45.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.352 1.032 . . . . 10.0 111.003 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 108.59 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 10.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.79 118.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.67 -40.08 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 10.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.23 104.79 5.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 0.745 . . . . 10.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.63 127.1 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 10.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 13.4 m-85 -88.78 176.94 6.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 10.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 59.5 m -144.87 159.02 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 10.0 110.353 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.541 ' OG ' HD13 ' A' ' 56' ' ' LEU . 6.1 t -144.8 147.14 32.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 10.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 28' ' ' GLU . 4.6 m -121.72 115.17 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -91.63 99.28 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.43 -27.32 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.36 126.7 35.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.458 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -74.99 87.61 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 10.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.88 -148.38 4.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 10.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.9 m -136.96 102.23 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 10.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.755 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 62.4 m-85 -83.56 147.45 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 10.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 m -123.36 143.81 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -144.34 149.48 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 10.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 20.3 p90 -153.74 121.36 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 10.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.499 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 5.0 mtt . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.516 0.198 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 93' ' ' GLY . 6.2 t -105.15 171.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 145.97 138.33 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 10.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -144.6 158.82 43.6 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.464 0.743 . . . . 10.0 109.238 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -108.66 158.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.18 122.42 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 10.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.6 t -105.41 135.41 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 10.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 10.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -88.24 152.51 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 t -145.8 157.41 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 10.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.57 ' CG2' HG11 ' A' ' 21' ' ' VAL . 34.5 t -145.49 144.84 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 10.0 109.223 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -96.26 127.18 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 10.0 109.272 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 1.025 ' SD ' HD11 ' A' ' 41' ' ' ILE . 18.9 mtm -64.66 90.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.59 -142.35 16.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 10.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.6 t -134.98 160.39 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 10.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -65.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -48.22 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.672 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . 123.13 56.72 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 10.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 178.18 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 10.0 109.29 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -75.13 -163.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 10.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.1 m 50.93 177.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 60.8 m-85 -125.82 141.37 52.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 10.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.73 130.45 18.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.94 135.54 40.97 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.038 -2.484 . . . . 10.0 111.055 -0.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 m -54.93 -51.78 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 10.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -108.84 138.84 44.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG11 ' CG2' ' A' ' 5' ' ' VAL . 20.5 m -142.09 145.71 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 10.0 109.335 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.91 138.68 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 10.0 110.41 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.912 HD12 HG23 ' A' ' 29' ' ' VAL . 8.3 tt -141.9 159.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.1 mmtt -95.95 161.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 10.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 87.01 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 10.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 144.3 -22.57 2.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 10.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.95 -178.53 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -129.52 173.84 10.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 110.309 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 23' ' ' ILE . 3.6 t -131.49 142.43 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 10.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -116.27 125.61 52.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.486 1.116 . . . . 10.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.3 m-90 -112.29 100.06 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.35 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 10.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.71 119.25 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' SER . 2.1 t-20 -85.23 -71.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.464 1.103 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.658 ' C ' HD23 ' A' ' 36' ' ' LEU . 16.0 tptt -167.2 -157.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 10.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD22 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 43.04 62.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 10.0 109.246 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.4 m -83.44 160.14 60.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.052 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.91 -172.56 10.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.032 -2.487 . . . . 10.0 110.992 -0.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.511 ' CE1' ' HG ' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -155.29 97.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 10.0 109.65 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.662 ' OD1' HD12 ' A' ' 61' ' ' LEU . 13.9 m-80 -93.47 146.22 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 10.0 109.38 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 1.025 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.68 81.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.01 147.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.85 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -125.31 131.51 53.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.38 160.21 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -120.73 75.83 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 10.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.72 -71.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 10.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.96 64.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.432 1.082 . . . . 10.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.09 154.05 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.491 0.759 . . . . 10.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.52 162.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.65 -46.15 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.633 1.208 . . . . 10.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -61.22 -45.67 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 m -61.21 -63.35 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 10.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -50.22 -38.0 38.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.098 . . . . 10.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -54.82 -51.88 64.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 10.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -53.77 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 73' ' ' PHE . 3.8 mp -64.55 -14.86 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 10.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 t -86.79 112.79 22.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 10.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.532 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 5.0 m80 -80.76 104.39 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 10.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 35.57 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.92 -145.07 13.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 10.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.662 HD12 ' OD1' ' A' ' 40' ' ' ASN . 8.8 tp -162.1 124.68 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.746 . . . . 10.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.96 157.44 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 10.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 35.3 m-85 -154.74 -46.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 141.39 31.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 10.0 109.359 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.19 -43.45 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.386 1.054 . . . . 10.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -76.89 145.65 38.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 10.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -145.5 143.52 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 110.017 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.532 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 32.9 m-85 -96.13 172.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 10.0 111.015 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 18.6 m -145.52 146.78 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 10.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.531 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.7 p -144.43 124.92 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 10.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.7 m -86.9 125.66 34.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.945 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -93.94 98.55 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 10.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -93.07 -49.95 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -71.72 120.46 80.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 10.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.547 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.01 61.03 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 10.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.19 -142.68 6.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -143.03 106.49 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 10.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CD2' HD22 ' A' ' 56' ' ' LEU . 53.1 m-85 -87.16 152.86 21.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 95.2 m -131.81 149.62 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 10.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -147.59 152.33 37.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 10.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 3.7 p90 -158.43 110.42 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 10.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.431 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 1.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 10.0 108.228 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.595 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.512 0.196 . . . . 10.0 110.954 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.64 167.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.55 129.96 2.73 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.546 1.154 . . . . 10.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -143.98 170.61 15.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 10.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -124.88 158.17 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -135.53 114.9 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 10.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.945 HG22 ' CD2' ' A' ' 73' ' ' PHE . 11.8 t -74.39 152.87 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.0 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -100.6 136.22 40.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 10.2 t -132.54 146.36 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.501 HG22 ' HD2' ' A' ' 18' ' ' PRO . 5.0 t -136.77 138.2 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.2 pttp -82.64 52.81 2.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.661 ' HG2' HD11 ' A' ' 41' ' ' ILE . 24.8 mtt 37.2 -94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 10.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -70.71 -161.63 3.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 10.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -119.69 151.89 38.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 0.774 . . . . 10.0 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 10.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -41.91 -47.82 4.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 10.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.08 63.67 0.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.595 1.184 . . . . 10.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.83 139.41 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 10.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -75.2 76.57 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.782 HG13 ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -160.85 -163.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.782 ' N ' HG13 ' A' ' 15' ' ' VAL . 69.1 m-85 -137.85 135.69 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -136.06 136.23 22.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 10.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.862 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 137.25 49.28 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 10.0 111.046 -0.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' PRO . 3.2 m -35.27 -49.96 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 10.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -120.75 139.33 53.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 10.0 110.343 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.862 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.0 m -130.97 144.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.433 1.083 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.31 138.48 32.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 10.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.58 HD12 HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -145.87 152.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 10.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -93.68 157.21 16.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.94 114.26 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.98 -11.3 37.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 10.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.21 -179.31 4.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 10.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' HG3' HG23 ' A' ' 72' ' ' THR . 3.2 mp0 -128.82 163.07 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 23' ' ' ILE . 2.3 t -123.18 157.85 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' THR . 2.6 ttpt -131.17 128.26 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.9 m-90 -116.71 99.56 7.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 10.0 107.984 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -84.23 144.0 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.419 HD22 ' HB1' ' A' ' 62' ' ' ALA . 49.8 t-20 -83.44 134.91 34.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -121.12 -68.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -154.99 -168.62 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 60.98 69.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.634 1.209 . . . . 10.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -132.73 162.06 59.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 10.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.0 173.54 57.39 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.996 -2.501 . . . . 10.0 110.998 -0.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.477 ' O ' HD12 ' A' ' 61' ' ' LEU . 2.4 p80 -176.78 167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -140.97 168.6 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 10.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.0 mt -126.17 83.81 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 10.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 93.5 t -80.88 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -118.19 144.49 45.69 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 10.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.78 144.77 31.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 10.0 109.303 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.58 76.69 9.52 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 10.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -96.07 100.19 11.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 10.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -30.79 5.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 10.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' ASP . 25.7 t -94.21 163.45 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 10.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 48' ' ' VAL . 72.9 m-20 -58.75 164.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.52 -55.72 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.8 m-20 -46.95 -49.06 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -55.25 -62.32 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 10.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.74 -24.46 15.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -55.66 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -52.95 -43.12 66.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 10.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -74.68 114.45 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.9 m-70 -74.6 99.98 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 10.0 109.652 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.1 37.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 10.0 109.375 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.25 -146.73 7.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 10.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 63' ' ' PHE . 6.0 tp -172.79 124.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 10.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -104.7 144.31 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 40.1 m-85 -131.24 -58.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.73 130.31 38.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 10.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.73 90.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.47 -36.17 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.52 109.07 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 10.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.4 p -111.9 153.93 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 10.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 24.7 m-85 -104.69 172.72 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 84.9 m -145.29 154.31 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 110.432 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -141.15 174.8 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 10.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 28' ' ' GLU . 26.3 m -145.68 110.69 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 10.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.724 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.4 m-85 -89.5 98.73 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -60.62 2.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.401 1.063 . . . . 10.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.58 127.64 91.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.94 80.59 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 10.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.07 -146.66 5.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 10.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -137.15 117.67 13.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 0.808 . . . . 10.0 110.371 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 45.7 m-85 -97.04 160.0 14.59 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 10.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 94' ' ' LYS . 21.3 m -137.53 153.21 50.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 10.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 8.2 p90 -148.91 152.45 36.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 10.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -143.66 136.13 27.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 10.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.352 1.033 . . . . 10.0 108.311 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.7 mtt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.668 0.27 . . . . 10.0 111.04 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 93' ' ' GLY . 71.0 t -99.63 -95.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.298 0.999 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.82 135.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.586 1.179 . . . . 10.0 110.994 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 80' ' ' THR . 69.1 mttt -138.87 176.91 8.29 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.549 0.793 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 96' ' ' VAL . 58.2 t -123.12 165.91 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.502 ' N ' HG12 ' A' ' 95' ' ' VAL . 99.1 t -145.19 115.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 10.0 109.199 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.4 t -91.12 142.77 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 10.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -80.26 156.96 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -146.54 155.38 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 10.0 110.452 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.533 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.0 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 117.4 34.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.201 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -44.97 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 10.0 111.046 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.63 140.59 24.49 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.6 1.188 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.645 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.03 156.46 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 10.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.14 -39.15 81.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.72 40.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . 40.02 50.38 3.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 10.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -104.98 163.26 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 10.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.431 HD22 ' HE2' ' A' ' 91' ' ' MET . 18.6 mt -84.07 -59.76 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 109.225 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -41.16 128.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 10.0 109.225 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 72.1 m-85 -75.25 135.3 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 10.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.9 tt0 -134.21 131.69 20.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 10.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.03 132.41 27.47 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.006 -2.498 . . . . 10.0 110.97 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 79.4 p -51.39 -53.43 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 10.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -102.7 139.09 38.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 10.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG11 ' CG2' ' A' ' 5' ' ' VAL . 23.0 m -144.91 134.35 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 10.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -82.88 145.47 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.825 HD12 HG23 ' A' ' 29' ' ' VAL . 5.7 tt -145.79 158.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 10.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.45 161.53 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 10.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 104.31 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 10.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.24 -13.08 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 10.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.75 -179.35 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 0.702 . . . . 10.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -127.11 178.21 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 10.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.825 HG23 HD12 ' A' ' 23' ' ' ILE . 2.9 t -145.39 126.95 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -101.82 120.45 40.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.702 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 9.0 m-90 -103.99 99.78 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.3 t -91.42 143.57 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 10.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 119.42 32.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.63 1.206 . . . . 10.0 109.266 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -90.58 -62.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -172.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.6 mp 67.44 68.19 0.38 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.4 p -95.13 151.73 38.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.483 1.114 . . . . 10.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.94 -165.35 4.1 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 10.0 111.039 -0.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -165.93 121.8 1.3 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 10.0 109.623 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -122.1 137.88 54.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 10.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -109.88 69.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -81.36 140.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.8 m-85 -116.74 130.37 56.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.466 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -88.14 149.38 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -102.1 80.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -100.33 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.596 1.185 . . . . 10.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.56 9.37 64.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.2 t -129.78 162.99 36.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.565 0.803 . . . . 10.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.16 171.54 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.82 -53.4 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 10.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.28 -47.69 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -57.96 -53.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.06 -24.73 66.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 10.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.76 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.625 1.203 . . . . 10.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -48.64 70.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -62.39 -28.0 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.8 t -77.47 122.54 25.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 47.7 m-70 -93.49 101.29 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.684 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -40.42 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 10.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.67 170.85 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 10.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 38' ' ' PRO . 4.4 mt -119.62 138.1 53.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 0.715 . . . . 10.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -127.66 107.71 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -118.92 -40.74 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 10.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 120.72 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.91 168.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 10.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.86 -39.27 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.414 1.071 . . . . 10.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.35 113.33 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 10.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -135.51 139.26 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 15.9 m-85 -97.92 173.0 7.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.7 m -145.17 153.1 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 10.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.494 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 10.9 p -137.06 -179.79 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 10.0 110.008 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 28' ' ' GLU . 15.4 m -143.01 138.56 30.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 10.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.801 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -111.89 98.72 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 10.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -39.36 24.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.99 53.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.01 85.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.572 1.827 . . . . 10.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.45 -138.56 3.76 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.397 1.061 . . . . 10.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -143.82 107.37 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.807 ' CE2' HD13 ' A' ' 56' ' ' LEU . 32.6 m-85 -87.54 151.73 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 29.3 m -126.25 143.56 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 35.4 p90 -152.86 157.19 40.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.407 1.067 . . . . 10.0 111.052 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.466 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -160.13 177.95 10.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.469 1.105 . . . . 10.0 111.02 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.267 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.6 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 25.9 mtt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.468 0.175 . . . . 10.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.461 HG13 ' C ' ' A' ' 91' ' ' MET . 35.9 m -155.71 125.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 10.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.66 135.16 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 10.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.89 161.65 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.71 153.0 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 10.0 109.308 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.61 112.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.608 1.193 . . . . 10.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 98' ' ' ASP . 2.9 t -80.33 177.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 10.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.687 ' H ' HG12 ' A' ' 97' ' ' VAL . 21.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -101.62 156.66 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 10.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -138.94 153.31 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.568 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.4 t -145.56 138.03 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -94.95 129.73 41.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.98 82.85 4.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 10.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.7 -155.42 16.24 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.486 1.116 . . . . 10.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -139.08 151.53 46.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 10.0 110.005 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.14 -59.0 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 10.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -63.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 10.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 88.81 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 10.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.06 150.43 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 0.722 . . . . 10.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 91' ' ' MET . 2.5 mp -85.34 58.0 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.529 1.143 . . . . 10.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 m -136.49 166.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 10.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.602 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 29.1 m-85 -126.34 110.23 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.2 tt0 -127.18 128.36 24.12 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 10.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 141.48 71.91 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.073 -2.47 . . . . 10.0 110.966 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -44.45 43.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 10.0 109.959 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -113.91 133.56 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.21 167.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -99.2 150.77 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 110.456 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -145.5 143.92 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.771 ' N ' HD13 ' A' ' 23' ' ' ILE . 8.9 mmtt -88.28 140.12 29.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 10.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.34 99.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.58 -26.87 4.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.405 1.066 . . . . 10.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -178.73 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 0.761 . . . . 10.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -133.53 171.58 13.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.838 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -126.62 161.13 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -124.99 120.68 32.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 8.3 m-90 -106.72 99.81 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.93 -1.137 . . . . 10.0 107.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.6 143.27 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 10.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -85.76 122.74 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -91.7 -77.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.37 178.91 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.52 70.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.38 1.05 . . . . 10.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 1.2 p -89.69 157.27 46.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 10.0 109.93 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.07 -169.57 7.49 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.987 -2.505 . . . . 10.0 110.963 0.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -156.71 92.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 10.0 109.616 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.62 138.14 32.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 10.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.836 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.4 mt -119.1 65.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 10.0 109.327 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.74 129.83 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 10.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.836 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.6 m-85 -102.63 143.18 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.7 146.36 26.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 10.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.9 75.02 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 10.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.68 100.04 10.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.76 -28.95 6.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG1' HG21 ' A' ' 52' ' ' THR . 16.4 t -90.97 168.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 10.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.65 170.1 6.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 10.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.22 -54.75 5.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 10.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.746 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -54.6 -38.01 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 10.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.517 HG21 ' CG1' ' A' ' 48' ' ' VAL . 2.9 m -61.54 -62.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.96 -22.31 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.76 -63.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -57.25 -44.04 83.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -63.8 -29.42 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 10.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.05 147.24 40.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 10.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.543 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 18.2 m80 -112.36 99.04 7.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.525 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -99.05 40.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.31 -132.53 6.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 10.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.94 130.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 10.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.43 151.61 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 10.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -160.1 -44.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.589 1.18 . . . . 10.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 119.23 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.71 91.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.39 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.89 -37.71 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 10.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.87 106.47 16.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 m -118.12 140.73 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 10.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.543 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 11.5 m-85 -94.31 169.37 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 10.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 29' ' ' VAL . 28.2 m -145.69 148.41 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 110.402 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 10.9 p -138.68 154.16 48.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 10.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.552 ' O ' HD21 ' A' ' 56' ' ' LEU . 4.0 m -121.32 119.49 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 10.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.9 m-85 -88.11 97.91 11.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -54.6 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 130.55 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 110.249 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.09 87.42 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.88 -143.59 4.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.58 1.175 . . . . 10.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -141.68 99.87 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.686 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.2 m-85 -83.3 147.57 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 10.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 87.3 m -132.8 148.9 52.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -144.96 153.43 41.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.604 1.19 . . . . 10.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -135.35 169.87 16.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 10.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 3.4 mtm . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.512 0.196 . . . . 10.0 110.982 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -132.16 -93.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.771 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 66.8 132.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 10.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.15 149.23 36.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.756 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.25 157.4 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.1 t -141.17 126.56 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 10.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -93.41 130.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 10.0 109.297 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -95.51 125.98 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 11.0 t -120.74 149.39 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 21' ' ' VAL . 89.5 t -134.81 141.86 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.13 134.62 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 10.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.622 ' SD ' HD11 ' A' ' 41' ' ' ILE . 4.2 mtm -71.89 75.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 10.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.57 -138.94 13.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 10.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.528 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -145.11 159.21 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -53.45 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 -53.19 9.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 10.0 109.968 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.58 58.69 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 10.0 111.018 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.2 42.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 10.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -75.75 60.58 1.31 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 10.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 14' ' ' LEU . 17.1 m -158.42 148.52 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 0.8 OUTLIER -114.79 132.63 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 10.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.0 mt-10 -137.37 139.95 29.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 10.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 132.46 27.64 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.938 -2.526 . . . . 10.0 111.027 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.46 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.8 p -63.08 -15.28 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 10.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -141.78 136.17 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 10.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.8 t -135.32 175.64 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.568 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -106.32 136.86 45.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -137.94 155.53 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 10.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.73 154.06 18.26 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.412 1.07 . . . . 10.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.91 101.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 10.0 109.37 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.24 -18.67 8.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.428 1.08 . . . . 10.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.03 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 0.746 . . . . 10.0 110.339 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.9 pm0 -129.99 177.39 7.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.1 t -133.24 155.77 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 10.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' THR . 5.5 ttmm -125.86 134.95 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 8.3 m-90 -124.04 99.65 6.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -87.35 143.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -74.94 133.32 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' SER . 4.5 t30 -107.52 -68.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -173.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 67.4 62.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 6.2 p -85.53 153.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.05 -168.09 6.2 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.002 -2.499 . . . . 10.0 111.073 -0.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.16 140.91 23.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.498 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.05 135.88 22.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' SD ' ' A' ' 7' ' ' MET . 2.3 mt -125.68 71.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 11.0 t -77.36 138.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -109.42 147.66 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.53 146.31 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 10.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.08 78.09 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -106.86 97.01 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.46 -25.64 12.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 10.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.706 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -96.39 152.85 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.59 155.76 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.497 1.123 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 -56.14 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 10.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -49.87 -40.39 42.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.583 1.177 . . . . 10.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 m -64.05 -67.61 0.42 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.423 1.077 . . . . 10.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -44.15 -38.68 3.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 10.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -50.2 -58.72 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.35 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mp -73.09 -4.94 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 10.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -91.73 133.45 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.042 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 12.4 m-70 -112.66 99.65 8.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 109.585 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -43.7 -32.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.01 131.47 7.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 10.0 111.01 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -179.99 41.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 10.0 109.225 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.33 110.73 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 55.8 m-85 -122.52 -64.26 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 10.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.93 141.89 34.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 10.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.72 86.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 10.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.74 -39.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.2 mt-10 -80.0 100.71 8.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.8 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 p -109.34 151.56 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 10.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.462 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.2 m-85 -104.52 172.25 6.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.8 m -143.76 154.22 43.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.4 t -145.42 148.74 33.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 10.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.2 m -123.2 127.78 49.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 10.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.727 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -104.5 99.06 8.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -36.76 29.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.378 1.049 . . . . 10.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.29 125.61 55.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.442 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.1 85.85 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.471 1.774 . . . . 10.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.69 -149.49 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.453 1.095 . . . . 10.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.65 0.853 . . . . 10.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.727 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 50.3 m-85 -82.16 159.14 23.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 10.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.5 m -121.68 151.07 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 10.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 1.8 p90 -168.61 157.44 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 10.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -173.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 10.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 108.294 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.545 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 7.1 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.606 0.241 . . . . 10.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -116.83 124.85 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.92 142.11 10.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 10.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -143.22 145.44 32.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 96' ' ' VAL . 21.3 t -98.82 165.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 10.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.443 ' N ' HG12 ' A' ' 95' ' ' VAL . 61.1 t -143.4 121.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.668 HG13 HG23 ' A' ' 23' ' ' ILE . 2.5 t -97.19 154.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . 16.9 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 10.0 109.369 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.928 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -111.73 105.2 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 10.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.3 t -98.45 162.65 13.05 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.439 1.087 . . . . 10.0 110.351 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 10.5 t -145.71 161.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 10.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 mttm -114.38 118.33 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.842 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.28 77.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.83 -152.6 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.044 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 2.7 t -133.68 163.88 28.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 10.0 110.062 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.7 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 10.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -61.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 10.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.68 69.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 10.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -118.48 160.52 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 0.78 . . . . 10.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.55 -54.44 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 10.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -46.69 121.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 10.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 5.1 m-85 -74.91 143.51 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -140.19 133.77 15.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 10.0 110.206 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 133.8 33.07 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.047 -2.481 . . . . 10.0 110.98 -0.051 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.418 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 28.7 p -51.39 -52.02 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.5 m -105.96 133.61 50.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 10.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.675 HG12 ' HG2' ' A' ' 18' ' ' PRO . 13.8 m -140.27 145.1 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.727 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m -82.86 150.6 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 10.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.975 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.15 136.97 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 10.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.703 ' N ' HD13 ' A' ' 23' ' ' ILE . 12.0 mmtp -78.13 145.37 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.78 99.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.42 4.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.165 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.05 -179.06 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 10.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -125.47 175.36 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.5 t -123.76 161.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 10.0 109.307 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -133.47 113.58 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.51 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 12.3 m-90 -101.39 99.41 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 10.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 134.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 10.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -90.67 131.27 36.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 10.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 9' ' ' SER . 6.3 p-10 -106.12 -51.29 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.48 1.113 . . . . 10.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -164.29 -174.81 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.366 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.7 mm? 67.66 69.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.207 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 54.9 p -95.56 150.55 37.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 10.0 109.957 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.06 -171.18 9.04 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.935 0.011 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -150.45 79.04 1.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 10.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.433 ' ND2' HD13 ' A' ' 61' ' ' LEU . 6.4 t-20 -85.74 139.28 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' CE ' ' A' ' 7' ' ' MET . 2.6 mt -121.51 72.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 10.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 93.9 t -80.13 143.06 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 10.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.825 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -118.19 130.39 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 10.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.13 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.96 80.57 2.75 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.541 1.151 . . . . 10.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.74 -72.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 10.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.1 13.28 67.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.092 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.786 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.5 t -135.48 163.32 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 10.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -68.87 175.4 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 10.0 109.225 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.64 -61.1 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.82 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -42.8 -55.91 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 10.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 79' ' ' TYR . 21.2 m -54.86 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.85 -55.89 14.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 10.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.87 -28.83 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 10.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.591 1.182 . . . . 10.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.9 t -78.23 139.59 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 10.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.2 m-70 -108.43 99.65 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -102.43 25.78 8.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 10.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.87 -30.78 8.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 10.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' ND2' ' A' ' 40' ' ' ASN . 37.9 tp 63.79 122.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 10.0 109.232 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.727 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -104.35 157.8 16.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -158.76 -47.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.64 112.57 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 10.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 149.29 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.9 -37.76 3.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 10.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.29 128.4 35.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 10.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.59 133.11 37.96 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.153 . . . . 10.0 110.081 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.727 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 9.6 m-85 -90.66 178.02 6.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' VAL . 43.6 m -145.35 151.11 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 10.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.56 ' OG ' HD13 ' A' ' 56' ' ' LEU . 9.3 t -142.36 145.08 33.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' HD21 ' A' ' 56' ' ' LEU . 17.7 m -115.0 123.96 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 10.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.745 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -101.35 98.72 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 10.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -38.88 25.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 10.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.12 125.73 47.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 10.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.492 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 94.84 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 10.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.31 -137.36 3.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.577 1.173 . . . . 10.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -145.2 99.77 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 10.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.786 ' CE2' HG11 ' A' ' 48' ' ' VAL . 77.4 m-85 -86.02 137.45 32.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 10.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -117.04 147.75 42.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 54.0 p90 -151.36 153.28 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 10.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 4.2 p90 -145.8 155.45 42.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 10.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.524 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 1.4 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.423 0.154 . . . . 10.0 111.055 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.67 176.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.46 125.72 2.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 10.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -145.28 167.35 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 10.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.66 153.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.8 t -135.74 119.46 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 10.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.975 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.4 t -106.63 138.23 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 10.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -137.12 138.02 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.39 155.45 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.065 . . . . 10.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.869 HG12 ' H ' ' A' ' 7' ' ' MET . 96.2 t -138.56 140.94 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -87.58 15.43 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.869 ' H ' HG12 ' A' ' 5' ' ' VAL . 23.7 mtt 64.72 -70.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -96.44 -130.94 6.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 164.18 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 10.0 109.973 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -51.6 69.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.396 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -54.39 -58.52 7.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.29 92.27 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 10.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -157.02 153.87 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 10.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 56.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 7' ' ' MET . 15.9 m -116.38 179.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -146.2 115.95 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 10.0 111.025 -179.926 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.6 mt-10 -145.34 135.55 11.9 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 10.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.735 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.97 137.44 50.35 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.982 -2.507 . . . . 10.0 110.96 -0.007 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -53.44 -38.43 63.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 10.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -123.79 135.88 54.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 10.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.839 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 25.4 m -128.43 149.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -96.4 137.21 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 10.0 110.381 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.875 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.25 156.6 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.784 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.75 157.42 17.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 10.0 109.282 -179.874 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 82.68 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.6 -29.88 0.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 10.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -178.16 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 10.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.78 169.79 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.675 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.0 t -115.91 161.78 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -131.58 120.54 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.736 ' HB3' ' HE2' ' A' ' 7' ' ' MET . 20.5 m-90 -110.88 98.54 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.118 . . . . 10.0 108.053 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' OG ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -82.68 139.61 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 10.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 62' ' ' ALA . 24.0 m-20 -78.4 100.69 6.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -81.08 -66.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 10.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.98 -156.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER 57.77 70.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.563 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -117.83 163.12 25.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 10.0 110.114 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.06 167.99 78.79 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.999 0.036 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -178.63 140.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.59 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 2.4 p30 -127.67 176.19 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.4 mt -129.51 75.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 10.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 18.2 t -80.28 135.47 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 10.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.2 m-85 -106.85 143.41 34.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.26 142.82 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.38 79.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 10.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -102.28 101.35 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.42 -28.45 7.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 79' ' ' TYR . 2.1 t -88.4 170.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.777 . . . . 10.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.68 147.35 39.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 1.162 . . . . 10.0 109.36 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -65.82 -59.02 4.29 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.526 1.141 . . . . 10.0 109.299 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -39.83 -63.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -47.99 -56.74 6.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 10.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.95 -23.86 34.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.43 -34.28 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -10.18 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.117 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 7.2 mt -110.69 -6.36 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.5 t -94.07 113.91 25.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 10.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.69 105.43 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 10.0 109.632 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -41.03 75.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 10.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.486 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 147.92 -143.1 10.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.45 HD23 ' HE1' ' A' ' 63' ' ' PHE . 0.4 OUTLIER 82.87 30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.272 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -117.72 115.51 25.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 10.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HE1' HD23 ' A' ' 61' ' ' LEU . 26.3 p90 -164.02 -41.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.75 104.94 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.58 112.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 10.0 109.38 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.52 -51.75 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 10.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 48.2 mt-10 -74.87 105.71 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 10.0 110.215 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.719 ' OG ' HG23 ' A' ' 32' ' ' VAL . 4.6 m -108.12 143.0 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 10.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.639 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 15.7 m-85 -97.71 169.3 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.9 m -145.52 146.59 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 10.0 110.425 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.8 p -145.57 126.63 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 10.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -105.34 135.44 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.317 1.01 . . . . 10.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 53.9 m-85 -113.64 99.55 7.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 10.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -88.31 -4.21 58.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 10.0 110.329 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 17.8 tp10 -117.81 135.16 23.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.1 Cg_endo -75.08 136.19 19.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 10.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.71 -176.55 35.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.423 1.077 . . . . 10.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.4 m -117.32 128.65 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 10.0 110.461 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 80.2 m-85 -109.93 162.79 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.5 m -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.408 1.068 . . . . 10.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 37.5 p90 -135.62 134.31 39.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -118.49 132.12 56.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 7.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 10.0 108.278 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.464 0.174 . . . . 10.0 111.028 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.649 HG22 ' CZ ' ' A' ' 16' ' ' PHE . 11.5 m -141.26 -153.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 10.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . 149.41 148.0 4.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' TYR . 3.6 pttt -137.12 144.97 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 10.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 21' ' ' VAL . 3.4 t -114.04 157.37 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 10.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.614 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.3 t -128.97 126.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -117.09 120.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.03 104.26 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 10.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -116.65 153.8 31.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 10.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.501 ' CG2' HG21 ' A' ' 21' ' ' VAL . 94.2 t -143.53 102.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE3' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -59.28 145.49 42.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 10.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.412 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 9.3 mtt -81.21 77.15 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -135.38 9.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 10.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.849 ' OG ' ' HB3' ' A' ' 13' ' ' ALA . 5.7 m -145.27 151.2 37.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 0.8 . . . . 10.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -51.2 56.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 10.0 109.25 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -62.35 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 10.0 109.96 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.4 69.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB3' ' OG ' ' A' ' 9' ' ' SER . . . -121.09 143.97 48.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 10.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.97 7.51 20.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 10.0 109.249 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG22 ' HB1' ' A' ' 13' ' ' ALA . 28.7 m -93.35 139.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CD2' ' CG ' ' A' ' 91' ' ' MET . 14.2 m-85 -79.22 108.11 12.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.6 tt0 -117.84 132.09 23.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 10.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HG2' HG13 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 168.42 77.48 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 p -84.95 -33.47 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -127.3 132.75 50.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.704 HG13 ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -135.35 140.21 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.21 -179.905 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.33 127.04 37.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 10.0 110.436 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.915 ' CG2' HG22 ' A' ' 97' ' ' VAL . 4.6 tt -127.91 156.56 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -99.81 165.56 11.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 10.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 79.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.58 -21.06 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.417 1.073 . . . . 10.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 4.8 mm-40 -74.64 168.87 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 0.723 . . . . 10.0 110.269 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.78 ' CG ' HG23 ' A' ' 72' ' ' THR . 2.7 mt-10 -121.77 158.01 29.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 10.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD12 ' A' ' 23' ' ' ILE . 8.5 t -112.89 160.0 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.395 1.06 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 3.9 ttpt -139.77 112.6 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.4 m-90 -100.31 99.74 10.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 10.0 108.048 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -90.68 132.58 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.085 . . . . 10.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -79.82 101.31 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' SER . 31.4 t30 -74.44 -41.01 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 10.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 172.51 -163.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 66.23 59.5 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 10.0 109.213 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.07 151.25 51.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.412 1.07 . . . . 10.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.93 -166.54 4.94 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.025 -2.49 . . . . 10.0 111.024 -0.065 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -157.67 155.78 30.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 10.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 39' ' ' HIS . 11.6 m-80 -158.32 137.32 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 10.0 109.388 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.696 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -119.21 71.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.7 t -82.86 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.696 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.2 m-85 -108.38 131.85 54.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.77 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -106.08 80.78 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 10.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.1 -68.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 10.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.29 16.54 60.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.09 . . . . 10.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 79' ' ' TYR . 16.5 t -139.08 169.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.549 0.793 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -67.12 155.79 37.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 10.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -80.69 -50.61 9.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -48.31 -64.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 10.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 56' ' ' LEU . 12.2 m -51.34 -41.06 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 10.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -67.39 -23.63 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -72.19 -26.8 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 10.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -14.41 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.168 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.2 mt -106.58 -9.56 16.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 10.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 15.8 t -89.94 114.97 26.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 10.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 20.2 m-70 -89.99 103.29 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 10.0 109.522 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.2 35.62 2.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -99.78 -142.55 13.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 10.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -164.37 119.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 10.0 109.328 179.901 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.78 128.12 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 10.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 22.9 p90 -141.81 -46.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . . . -74.79 111.82 10.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' ALA . . . -40.4 138.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.5 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 10.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.27 111.76 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 10.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.4 p -135.9 162.49 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 10.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.454 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 26.5 m-85 -123.72 173.21 8.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 10.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' VAL . 45.0 m -137.31 149.47 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 10.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.877 ' HB2' HD23 ' A' ' 56' ' ' LEU . 7.6 p -145.92 126.67 14.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 10.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.78 HG23 ' CG ' ' A' ' 28' ' ' GLU . 1.3 m -100.65 147.91 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 10.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 1.168 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 58.7 m-85 -129.88 99.19 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.19 . . . . 10.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -13.26 51.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.26 140.0 26.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 10.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 147.65 34.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 10.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.19 172.36 25.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 10.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -110.03 107.56 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.835 ' CE2' HG11 ' A' ' 48' ' ' VAL . 93.5 m-85 -93.82 154.3 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 94' ' ' LYS . 96.6 m -131.25 154.19 48.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 10.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 52.8 p90 -150.48 143.27 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 10.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -123.42 -176.8 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 10.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.557 ' CG ' ' CD2' ' A' ' 16' ' ' PHE . 4.0 ttt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.495 0.188 . . . . 10.0 110.996 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.6 t -149.54 -81.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 70.89 125.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 10.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -125.35 146.49 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 10.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 96' ' ' VAL . 35.8 t -100.87 165.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.46 ' N ' HG12 ' A' ' 95' ' ' VAL . 47.1 t -144.38 112.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.915 HG22 ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -93.72 135.73 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.29 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.774 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -144.86 105.9 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 10.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -116.88 148.25 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.72 117.07 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 10.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -69.92 86.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.47 83.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 10.0 110.966 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 130.1 112.14 1.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 10.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 52.6 m -75.34 139.99 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 0.718 . . . . 10.0 110.0 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -43.18 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -32.18 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 10.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.26 46.82 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 10.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.71 141.46 37.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 10.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 36' ' ' LEU . 4.4 mm? -75.17 -28.82 60.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -76.48 168.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 10.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -118.85 155.9 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 10.0 110.999 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -145.66 129.11 8.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.11 157.62 99.39 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.938 -2.526 . . . . 10.0 110.925 0.101 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -74.62 -32.88 62.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -127.34 140.87 51.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 10.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.4 m -137.6 138.99 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.75 128.18 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.485 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -123.07 172.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' C ' HG13 ' A' ' 97' ' ' VAL . 1.7 mttt -112.9 162.21 16.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 109.208 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 74' ' ' THR . . . -80.89 76.9 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 10.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.95 -18.74 1.41 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.147 . . . . 10.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -74.99 176.96 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 0.777 . . . . 10.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 72' ' ' THR . 2.2 mt-10 -124.59 165.1 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 10.0 110.372 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -127.52 146.08 33.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.533 1.146 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 120.69 32.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 10.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.608 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.9 m-90 -106.31 99.8 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.03 130.79 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 10.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.59 101.54 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 10.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -80.55 -67.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 10.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.556 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -157.03 -162.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 10.0 109.375 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 35' ' ' LYS . 2.7 mm? 68.04 70.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.239 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.2 m -126.26 157.9 68.53 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.05 167.97 78.85 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.991 -2.504 . . . . 10.0 110.958 0.071 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.421 ' CE1' ' SD ' ' A' ' 7' ' ' MET . 0.3 OUTLIER -178.79 155.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 10.0 109.532 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.582 HD22 HD12 ' A' ' 61' ' ' LEU . 29.3 p30 -140.33 172.49 12.66 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.415 1.072 . . . . 10.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.4 mt -126.22 79.13 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 45.9 t -80.11 132.84 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-85 -105.0 125.18 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 10.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.63 154.89 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -112.85 76.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 10.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.56 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.11 5.7 75.19 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.42 1.075 . . . . 10.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.0 165.61 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.8 160.04 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.14 -59.93 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -44.02 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 109.359 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.76 -53.2 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 10.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -56.05 -28.4 57.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 10.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.55 -52.82 61.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 10.0 109.191 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.94 99.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 109.294 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.725 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -77.33 -4.97 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -93.98 114.74 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 10.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 9.9 m-70 -88.45 102.23 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -124.59 40.29 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.87 -27.58 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.582 HD12 HD22 ' A' ' 40' ' ' ASN . 0.2 OUTLIER 73.84 109.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 10.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -105.97 158.29 16.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 10.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.87 -43.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 10.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 114.05 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.76 167.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.2 -39.32 3.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.468 1.105 . . . . 10.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.77 101.79 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 10.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.57 128.86 55.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 10.0 110.037 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 38.8 m-85 -82.53 173.64 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 31.6 m -140.93 158.58 43.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.3 p -145.92 173.31 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 10.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.534 HG23 ' HG3' ' A' ' 28' ' ' GLU . 8.2 m -146.23 122.14 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 10.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.0 m-85 -101.77 98.71 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.444 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -83.41 -58.89 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.615 1.197 . . . . 10.0 110.404 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -69.43 131.14 90.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 10.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.03 85.41 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.99 -147.8 5.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.434 1.084 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' VAL . 12.9 m -142.28 116.25 9.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 0.754 . . . . 10.0 110.476 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 14.7 m-85 -92.09 158.98 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 69.8 m -142.89 151.08 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 110.415 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 9.1 p90 -148.33 179.53 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 10.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 12.7 p90 -153.78 -177.11 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 108.315 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 83' ' ' CYS . 13.1 ptm . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.462 0.172 . . . . 10.0 110.946 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.82 -65.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 60.42 127.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.71 168.86 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 0.723 . . . . 10.0 109.277 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' THR . 6.8 t -129.59 159.41 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -138.0 136.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.38 1.05 . . . . 10.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.489 HG13 ' C ' ' A' ' 24' ' ' LYS . 2.8 t -106.92 117.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 10.0 109.285 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -117.12 102.71 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 10.0 109.261 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 t -108.75 159.69 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 10.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.424 HG22 ' HD2' ' A' ' 18' ' ' PRO . 56.1 t -144.72 114.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 10.0 109.32 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -58.65 103.82 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 10.0 109.222 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.827 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.9 mtm -57.71 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 10.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HA ' ' A' ' 13' ' ' ALA . . . 96.24 144.65 17.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 10.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.4 ' N ' ' HA ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -75.93 154.85 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 10.0 110.011 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -27.88 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -51.79 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.899 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.896 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -112.67 -20.5 6.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 10.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.733 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . 73.49 85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 91' ' ' MET . 9.7 tp -125.66 -58.74 1.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.142 . . . . 10.0 109.247 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' OE1' ' A' ' 17' ' ' GLU . 3.2 m -91.86 156.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 10.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 7' ' ' MET . 22.5 m-85 -93.11 119.64 32.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.66 135.77 27.39 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 10.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 133.1 29.87 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.007 -2.497 . . . . 10.0 111.04 -0.062 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.6 p -50.9 -53.76 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 110.064 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 136.52 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 10.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.9 m -145.08 138.24 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.19 123.29 39.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.507 HD13 ' CG ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -124.55 162.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' N ' ' CG1' ' A' ' 23' ' ' ILE . 3.3 mmtt -82.14 159.71 23.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 10.0 109.217 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.37 66.74 8.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 10.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 172.19 -31.73 0.12 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.431 1.082 . . . . 10.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' HD11 ' A' ' 23' ' ' ILE . 41.9 mt-10 -73.81 170.11 15.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 10.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.54 174.52 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 110.239 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 3' ' ' ALA . 3.0 t -122.35 138.65 51.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -113.89 116.02 28.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.64 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.5 m-90 -100.19 99.82 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.37 129.59 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.08 129.62 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.235 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 22.2 p-10 -96.82 -49.3 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 109.357 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -162.13 -175.8 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 64.95 70.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -99.85 153.84 37.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.94 -167.96 6.06 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.135 -2.444 . . . . 10.0 110.945 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -150.05 108.47 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.646 179.883 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -100.98 142.94 31.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 10.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.827 HD11 ' SD ' ' A' ' 7' ' ' MET . 9.5 mt -131.97 62.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 10.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.95 130.88 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.9 m-85 -100.57 156.2 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 111.043 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.933 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.68 156.11 32.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 10.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.6 65.78 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.61 76.86 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 10.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.58 -23.83 34.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 10.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.75 HG13 ' OE1' ' A' ' 75' ' ' GLU . 4.6 t -90.67 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 10.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.584 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -73.08 163.36 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.91 -53.66 9.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 10.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.783 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.11 -51.32 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 109.192 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -52.2 -53.01 48.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.3 -18.55 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.29 -41.5 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -36.2 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -84.71 -4.09 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 10.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.57 127.38 34.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.971 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 10.9 m170 -97.78 101.24 12.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 10.0 109.567 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -110.43 22.27 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 10.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 -44.8 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.626 1.204 . . . . 10.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.24 118.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -95.08 131.5 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 37' ' ' SER . 77.2 m-85 -104.06 -43.08 5.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.18 141.43 30.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 10.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.79 56.87 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 -42.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.526 1.141 . . . . 10.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.37 138.14 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 10.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.34 128.41 37.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 49.1 m-85 -76.98 175.91 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.6 m -145.35 144.31 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 9.3 p -145.52 126.36 14.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -83.73 137.11 33.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 10.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 97' ' ' VAL . 2.9 m-85 -110.54 97.65 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 10.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -40.89 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 10.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.75 ' OE1' HG13 ' A' ' 48' ' ' VAL . 15.0 tt0 -77.82 117.69 67.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 110.273 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 86.24 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.589 1.836 . . . . 10.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.86 -137.86 2.98 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.502 1.126 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.574 HG23 HG22 ' A' ' 96' ' ' VAL . 20.1 m -145.13 126.97 15.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 0.809 . . . . 10.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' HD13 ' A' ' 56' ' ' LEU . 55.2 m-85 -109.21 156.82 19.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 10.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 m -143.78 147.03 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.78 178.86 7.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.933 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -146.51 -168.69 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 10.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 10.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.506 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.482 0.182 . . . . 10.0 110.971 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 93' ' ' GLY . 23.8 t -114.73 170.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.534 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 132.96 133.05 3.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 10.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 155.82 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 10.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG13 HG23 ' A' ' 21' ' ' VAL . 2.4 t -105.09 155.5 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 10.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 78' ' ' THR . 40.6 t -142.07 118.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CD2' ' A' ' 73' ' ' PHE . 2.1 t -79.39 170.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.468 ' H ' HG12 ' A' ' 97' ' ' VAL . 22.5 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -86.93 147.83 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -147.01 158.77 44.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 77.2 t -145.28 134.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 10.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -85.5 49.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 41' ' ' ILE . 34.1 mtt 35.13 -95.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 10.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -68.84 -145.32 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.361 1.038 . . . . 10.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.659 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 6.2 m -137.56 152.21 49.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 10.0 110.01 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -72.85 -29.46 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 10.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -86.66 46.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 10.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.59 54.76 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.53 1.144 . . . . 10.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -124.14 149.89 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' HE2' ' A' ' 91' ' ' MET . 5.0 mp -82.34 -49.63 9.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 92' ' ' VAL . 23.9 m -39.86 142.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 10.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 61.7 m-85 -75.0 135.01 41.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 10.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -137.76 120.3 11.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 10.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.03 140.96 70.23 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 121.009 -2.496 . . . . 10.0 110.991 -0.028 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p -58.97 -49.21 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -108.38 142.54 38.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 10.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -144.29 138.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -89.92 138.66 31.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.436 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 29' ' ' VAL . 8.6 tt -142.88 160.14 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.77 166.11 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 10.0 109.215 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.52 83.77 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 10.0 109.221 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 146.16 -18.72 1.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 10.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.69 -178.9 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.611 0.83 . . . . 10.0 110.272 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.4 pm0 -126.41 170.08 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 10.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 23' ' ' ILE . 7.2 t -130.26 135.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -111.96 127.57 55.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.839 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.6 m-90 -115.88 100.04 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 10.0 108.017 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 10.0 109.198 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -75.19 134.1 41.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 10.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 9' ' ' SER . 3.7 t30 -115.67 -64.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 10.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.25 -149.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 10.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.5 mm? 50.19 69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.367 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.614 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -118.05 165.73 15.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 10.0 109.968 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.614 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 168.7 76.62 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.493 . . . . 10.0 110.979 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER 179.21 -177.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 109.571 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 1.006 ' OD1' HG23 ' A' ' 42' ' ' VAL . 20.9 p30 -173.2 -177.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 10.0 109.24 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 ' CE ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -126.87 77.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.617 1.198 . . . . 10.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.006 HG23 ' OD1' ' A' ' 40' ' ' ASN . 89.4 t -86.19 128.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.1 m-85 -105.11 135.2 46.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 10.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.52 166.89 10.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 10.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.57 73.27 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -103.33 88.72 3.18 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.501 1.125 . . . . 10.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 -32.42 6.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 10.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 79' ' ' TYR . 8.5 t -88.0 168.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 10.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.5 m-20 -66.16 162.98 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.73 -61.44 1.78 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 10.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.758 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.26 -47.0 46.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -53.73 -66.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 10.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.16 -25.61 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.36 -51.45 60.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 10.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -47.61 82.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.4 mp -68.55 -17.38 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.183 . . . . 10.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.4 t -82.34 132.88 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 10.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 17.9 m80 -107.32 100.22 9.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 10.0 109.548 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -106.5 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 10.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.04 -31.59 5.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 10.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.77 141.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 10.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -124.39 167.84 13.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.408 1.068 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 28.4 m-85 -160.68 -51.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 10.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -75.35 130.17 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.05 95.31 0.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 10.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.34 -40.47 0.33 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.557 1.161 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.866 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 4.6 mp0 -74.86 100.71 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 10.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.1 p -110.02 155.75 21.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 10.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 15.4 m-85 -112.64 172.83 6.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -145.04 148.14 33.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.461 1.101 . . . . 10.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.503 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.6 p -145.14 143.46 30.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.6 m -100.61 130.29 46.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.955 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -101.9 98.46 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 10.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -94.8 -48.23 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 10.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 118.78 70.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 10.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 10.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.79 -145.98 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 10.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 95' ' ' VAL . 5.7 m -134.0 127.33 32.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 10.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.672 ' CE2' HD22 ' A' ' 56' ' ' LEU . 66.5 m-85 -107.93 153.77 22.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -135.72 139.67 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 7.5 p90 -141.68 170.34 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -177.68 160.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 1.079 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 10.0 108.334 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 91' ' ' MET . . . . . 1.079 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 2.9 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.502 0.192 . . . . 10.0 110.959 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 15' ' ' VAL . 4.0 m -67.29 136.36 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.86 121.86 1.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 10.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -136.75 176.55 8.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 10.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 HG23 ' A' ' 21' ' ' VAL . 1.5 t -126.65 153.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.2 t -134.02 113.52 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 10.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.0 t -75.86 154.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -108.21 161.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 13.5 t -145.01 150.08 36.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 10.0 110.431 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.91 125.85 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -80.18 120.8 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 10.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.601 ' HE1' HD11 ' A' ' 41' ' ' ILE . 1.2 mtm -62.06 105.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.056 . . . . 10.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.7 -141.31 15.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.31 151.88 39.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 10.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -57.63 -56.16 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 10.0 109.389 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -47.77 -52.14 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.44 68.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 10.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -123.25 -174.33 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 10.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 13' ' ' ALA . 4.3 mm? -113.09 -52.31 2.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.6 m -40.09 139.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.656 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 17.5 m-85 -81.71 124.7 29.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 10.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -130.27 127.4 22.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 10.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.0 Cg_endo -75.0 137.38 50.01 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.016 -2.493 . . . . 10.0 110.949 0.012 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -61.69 -41.78 98.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 10.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.2 m -116.7 137.83 51.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 10.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.6 m -140.93 159.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 10.0 109.211 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.86 138.54 33.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.53 158.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -104.42 156.06 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.97 93.23 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.623 1.202 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 135.81 -28.81 2.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.52 -179.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 10.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.3 pt-20 -135.31 178.45 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 10.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 3' ' ' ALA . 1.6 t -129.26 163.72 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.485 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 4.4 ttmt -130.78 113.99 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.627 ' CE3' HG12 ' A' ' 29' ' ' VAL . 20.3 m-90 -99.03 99.67 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 10.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 143.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.697 ' OD1' ' HB1' ' A' ' 62' ' ' ALA . 1.9 m120 -81.67 126.85 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 10.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' MET . 3.1 t30 -100.39 -56.66 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -177.4 -170.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 36' ' ' LEU . 3.0 mm? 65.72 70.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 10.0 109.357 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 15.4 p -92.51 149.53 38.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 10.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 -167.35 5.56 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.072 -2.47 . . . . 10.0 110.959 0.064 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.73 111.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 10.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -113.97 152.37 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 10.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.6 mt -121.43 70.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.76 129.11 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 10.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.799 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -102.55 126.55 49.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 10.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.46 154.26 21.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -101.99 79.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -100.14 -65.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 10.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.82 8.89 61.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.509 HG11 ' CE2' ' A' ' 79' ' ' TYR . 7.2 t -131.3 160.21 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.08 159.46 5.77 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.619 1.199 . . . . 10.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.74 -52.69 23.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 10.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-20 -55.38 -61.88 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 10.0 109.248 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 ' HE2' ' A' ' 79' ' ' TYR . 15.4 m -43.87 -52.54 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 10.0 110.392 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.72 -36.55 69.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 10.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.68 -19.12 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -41.52 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -82.23 -14.61 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.01 143.8 43.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.999 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.579 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 45.0 m80 -114.1 99.24 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 10.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -98.0 40.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.18 -133.05 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 10.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.62 118.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 10.0 109.287 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.697 ' HB1' ' OD1' ' A' ' 33' ' ' ASN . . . -118.76 148.74 42.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 10.0 109.281 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 12.4 p90 -162.98 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.9 116.99 24.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.51 105.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.383 1.052 . . . . 10.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.64 -37.41 0.62 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.471 1.107 . . . . 10.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.5 100.18 10.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.375 0.691 . . . . 10.0 110.215 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 m -116.85 145.84 43.29 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 10.0 110.037 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 22.0 m-85 -104.54 174.58 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 10.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' VAL . 23.8 m -145.42 148.9 33.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 1.054 . . . . 10.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -142.95 138.45 30.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 10.0 110.01 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.5 m -107.94 125.71 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 10.0 110.415 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.711 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 9.3 m-85 -93.65 98.23 11.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 10.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -89.78 -22.21 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 10.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.24 123.66 41.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.387 1.73 . . . . 10.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.51 -151.54 5.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.568 1.167 . . . . 10.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 m -130.32 99.75 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 0.81 . . . . 10.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.711 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 72.9 m-85 -80.06 147.27 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' ' 94' ' ' LYS . 98.2 m -128.48 147.93 50.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.578 1.174 . . . . 10.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' PHE . 24.6 p90 -160.05 174.99 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.577 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -165.45 -169.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 108.314 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.656 ' CE ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 10.0 111.031 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.664 HG12 ' N ' ' A' ' 93' ' ' GLY . 79.6 t 63.29 -103.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.664 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.94 132.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.441 1.088 . . . . 10.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.445 ' HG2' HG23 ' A' ' 80' ' ' THR . 78.6 mttt -141.37 162.7 34.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 0.707 . . . . 10.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 t -116.83 153.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 123.37 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.506 1.129 . . . . 10.0 109.247 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.505 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -95.0 158.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 10.0 109.268 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -80.19 119.84 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 10.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -118.43 155.02 31.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 110.417 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -138.38 152.6 25.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.65 1.219 . . . . 10.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -108.13 113.09 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 10.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.681 ' CE ' HD11 ' A' ' 41' ' ' ILE . 7.6 mtt -44.68 128.88 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 10.0 110.972 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.05 -136.1 28.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.9 159.38 43.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -53.31 -48.77 68.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 10.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -60.4 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 10.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.21 79.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 10.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.75 161.88 32.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CE ' ' A' ' 91' ' ' MET . 3.9 mm? -77.85 -55.01 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 15' ' ' VAL . 12.7 m -58.72 121.38 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -74.67 153.65 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 10.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.3 mp0 -146.87 130.73 8.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 10.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 158.18 99.15 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.018 -2.492 . . . . 10.0 111.045 0.087 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -86.94 -29.59 21.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 10.0 110.063 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.0 m -125.2 128.8 48.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.433 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -130.68 160.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -89.41 144.54 25.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 10.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.637 HG23 HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -145.61 158.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 10.0 109.267 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -103.96 156.32 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 10.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.86 101.68 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 10.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.21 -21.66 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 10.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.65 -179.53 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 10.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -131.82 176.04 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 10.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -131.49 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -125.49 125.59 43.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.239 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 17.4 m-90 -113.75 99.59 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -92.95 143.87 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 10.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -90.48 122.7 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 10.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -91.95 -66.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -174.71 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 14' ' ' LEU . 2.0 mp 63.45 69.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 10.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -101.23 159.49 29.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 10.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.93 -171.23 9.08 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.072 -2.47 . . . . 10.0 111.056 -0.146 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.51 138.3 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 10.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' C ' ' CG1' ' A' ' 41' ' ' ILE . 9.2 t30 -127.45 170.92 12.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' CE ' ' A' ' 7' ' ' MET . 4.2 mt -149.62 73.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 10.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.7 t -82.67 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.6 m-85 -105.52 125.96 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.43 164.68 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.331 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.6 75.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 10.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -98.14 94.56 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.554 1.159 . . . . 10.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.9 -35.91 3.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.43 1.081 . . . . 10.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.22 160.42 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 10.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 155.34 12.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 10.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.66 -55.23 8.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.81 -54.42 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 10.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -51.73 -55.77 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.073 . . . . 10.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.91 -33.02 35.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.37 -43.19 95.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -40.41 77.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.953 HD23 ' HB2' ' A' ' 71' ' ' SER . 9.6 mt -81.97 -3.48 54.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.244 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 8.8 t -93.31 130.76 38.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 10.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 6.9 m-70 -95.33 100.91 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 10.0 109.564 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.74 -33.4 25.08 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.4 125.17 8.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.368 1.043 . . . . 10.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.12 154.26 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 10.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.53 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 10.0 109.393 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -124.28 -56.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 10.0 110.966 -179.862 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.63 126.48 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 10.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.18 86.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.1 -34.42 0.09 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 10.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.92 105.41 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.372 0.69 . . . . 10.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 p -108.5 148.6 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 10.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -99.44 172.48 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.103 . . . . 10.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 m -145.71 147.58 32.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 10.0 110.343 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.953 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.5 p -144.82 150.25 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 10.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.585 ' O ' HD21 ' A' ' 56' ' ' LEU . 6.9 m -116.74 137.36 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 110.338 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 7.1 m-85 -107.36 98.06 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 10.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -44.85 17.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 10.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.44 124.1 73.98 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 10.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.447 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.43 1.753 . . . . 10.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.58 -152.88 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 10.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 104.79 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 10.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.766 ' CE2' HD13 ' A' ' 56' ' ' LEU . 70.4 m-85 -85.43 156.56 20.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 10.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.5 m -137.37 146.05 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 11.5 p90 -155.29 168.49 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.95 -148.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 10.0 108.342 -179.95 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.55 0.214 . . . . 10.0 111.014 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.7 m -102.57 123.45 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 10.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.521 ' HA3' ' CE1' ' A' ' 16' ' ' PHE . . . -147.22 146.98 17.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.158 . . . . 10.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.66 43.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 10.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.14 153.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.26 122.81 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 10.0 109.375 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -96.09 99.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.305 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.185 . . . . 10.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -104.19 104.79 14.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 10.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -108.52 160.57 15.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 10.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 26.4 t -145.38 163.68 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 10.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.475 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -104.75 125.77 51.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 10.0 109.318 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 39' ' ' HIS . 5.5 mtm -61.2 -85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.26 166.9 54.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -109.89 151.16 27.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 10.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -43.85 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 10.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -59.03 -46.17 88.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.27 60.34 0.39 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.35 174.65 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 0.705 . . . . 10.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.96 52.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 10.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.94 144.61 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 10.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 63.5 m-85 -78.84 144.22 35.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -138.38 102.8 7.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 110.334 179.902 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.92 -179.99 28.54 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 10.0 111.085 -0.073 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p -102.96 -26.92 12.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 110.052 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -125.46 125.44 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 10.0 110.465 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 5' ' ' VAL . 16.6 m -132.68 140.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 10.0 109.23 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -87.61 145.08 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 10.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 29' ' ' VAL . 2.3 tt -145.58 156.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.2 mmtt -83.97 165.62 18.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 10.0 109.223 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.38 81.4 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.637 1.211 . . . . 10.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 153.5 -25.93 0.76 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.483 1.114 . . . . 10.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.44 -178.4 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 10.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 1.1 pm0 -124.85 178.77 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 10.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 23' ' ' ILE . 2.7 t -133.67 140.88 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 10.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.82 124.32 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 10.0 109.237 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.8 m-90 -110.34 102.59 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 10.0 108.01 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.62 136.24 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 10.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -87.04 101.32 13.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.58 -63.39 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.4 -170.57 1.9 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.56 1.162 . . . . 10.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 7.7 mp 67.44 65.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 10.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -96.04 160.32 30.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 10.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 -172.97 11.54 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.02 -2.492 . . . . 10.0 110.976 0.146 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 10.2 m-70 -145.04 155.73 43.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.578 1.173 . . . . 10.0 109.652 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.41 103.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 10.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.707 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.6 mt -87.68 86.81 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 10.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 31.6 t -84.42 131.41 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.707 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.9 m-85 -106.86 124.63 49.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 10.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.22 158.46 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.01 75.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.91 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 10.0 109.296 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.51 13.09 64.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 10.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.655 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.13 167.19 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 10.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.37 166.48 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.62 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 10.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -53.96 -61.82 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -45.93 -52.04 12.28 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.464 1.103 . . . . 10.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -60.74 -30.43 69.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -57.8 -44.93 86.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -64.65 -27.84 69.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 10.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 43.1 t -75.31 128.79 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.024 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 9.1 m170 -77.72 102.13 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.53 33.4 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 10.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -120.61 -158.63 10.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 10.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 60' ' ' GLY . 4.9 mp -143.58 129.58 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -110.54 117.68 34.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 35.5 p90 -133.94 -45.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 10.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.2 118.48 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 10.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 169.54 -30.4 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 10.0 111.026 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -82.1 116.67 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 10.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.2 p -123.42 152.16 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 73.8 m-85 -97.59 173.33 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 10.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 7.0 m -146.02 146.41 30.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 10.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.5 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 7.6 p -145.15 142.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 10.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -99.02 134.11 42.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 10.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.968 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -105.58 97.91 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.5 -47.55 6.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 10.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.89 119.41 75.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 10.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.85 61.27 5.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 10.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.67 -144.72 6.77 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 10.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -136.96 116.2 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 0.751 . . . . 10.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.655 ' CE2' HG11 ' A' ' 48' ' ' VAL . 53.7 m-85 -95.85 150.74 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -135.99 150.1 49.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.515 1.134 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 3.6 p90 -150.04 167.71 25.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 2.9 p90 -170.56 127.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 10.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.58 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.6 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 10.0 108.232 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.728 ' C ' HG23 ' A' ' 92' ' ' VAL . 57.9 ttp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.521 0.201 . . . . 10.0 110.98 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 91' ' ' MET . 1.7 t 76.64 -172.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.717 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 95.61 128.67 5.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.52 166.91 24.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.51 159.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.356 1.035 . . . . 10.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.2 t -139.06 115.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 ' CD2' ' A' ' 73' ' ' PHE . 4.4 t -77.65 140.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 10.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.0 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.993 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.06 113.51 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 10.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -123.77 150.28 44.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.655 ' CG2' HG11 ' A' ' 21' ' ' VAL . 72.7 t -145.33 121.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 10.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -70.36 114.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 10.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 33' ' ' ASN . 44.2 mtt -34.68 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.11 -134.97 6.7 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.467 1.104 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.555 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 4.3 m -128.73 126.03 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 10.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.21 -59.5 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 10.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -30.82 14.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.567 1.167 . . . . 10.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 113.54 86.98 1.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -167.38 141.03 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 10.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.96 81.11 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 10.0 109.238 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 16' ' ' PHE . 2.2 t -135.22 174.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 10.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.619 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 14.1 p90 -145.04 109.9 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.37 141.19 16.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 10.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.08 134.89 37.96 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 10.0 111.019 0.041 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -51.88 -46.13 64.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.985 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 94' ' ' LYS . 1.1 m -116.57 118.92 33.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 10.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG12 ' HG2' ' A' ' 18' ' ' PRO . 2.9 m -118.84 139.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 10.0 109.371 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.68 134.39 33.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.374 -179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 HG23 ' A' ' 29' ' ' VAL . 4.8 tt -139.4 161.92 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.1 mttt -95.95 164.37 12.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -80.82 90.74 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.88 -14.36 4.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.552 1.157 . . . . 10.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.472 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -75.0 177.16 6.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 0.771 . . . . 10.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.12 165.41 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -125.92 161.5 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -139.55 126.94 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 10.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.612 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.6 m-90 -111.35 99.91 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -83.97 129.15 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.492 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 43.1 t30 -88.37 131.17 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 10.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -113.51 -34.3 5.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 10.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 177.05 -166.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 10.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? 64.83 63.1 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.573 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -104.56 163.71 16.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 10.0 109.994 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.0 -60.47 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.914 -2.536 . . . . 10.0 111.015 -0.085 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.56 152.19 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 10.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.449 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 5.6 m-20 -129.02 178.51 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 10.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.0 mt -130.64 59.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 10.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.74 138.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.21 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -108.02 139.91 41.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.44 1.087 . . . . 10.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.96 144.37 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.31 77.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 10.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 -60.53 1.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 10.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.08 58.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 10.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 49' ' ' ASP . 39.7 t -129.29 167.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 10.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.5 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -73.27 152.95 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.595 1.185 . . . . 10.0 109.362 179.873 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 19.6 m-20 -52.62 -56.53 14.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 10.0 109.195 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -50.77 -51.21 52.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 110.372 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.32 -19.48 63.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.99 -34.49 73.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.589 1.181 . . . . 10.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -24.67 29.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 10.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.2 -8.58 38.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 13.9 t -90.53 133.49 35.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 10.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.4 m-70 -111.58 99.64 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 10.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -43.79 3.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 109.226 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 61' ' ' LEU . . . 126.75 153.4 8.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 10.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER 162.22 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 10.0 109.378 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -111.04 104.52 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 10.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -138.12 -45.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 10.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.2 112.04 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.63 156.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.27 9.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 10.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.81 117.46 16.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.471 0.747 . . . . 10.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.79 132.78 45.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.937 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' HD2' HD12 ' A' ' 41' ' ' ILE . 17.5 m-85 -89.84 174.32 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 10.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.6 m -145.1 151.55 38.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 10.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.41 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 13.4 t -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 10.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.429 ' O ' HD21 ' A' ' 56' ' ' LEU . 20.5 m -110.75 117.74 34.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.8 m-85 -96.42 99.3 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 10.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.73 -49.98 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.1 tt0 -80.99 131.69 59.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 10.0 110.393 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -74.99 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 10.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.83 -149.83 6.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.37 1.044 . . . . 10.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.46 102.92 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 10.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.885 ' CE2' HD12 ' A' ' 56' ' ' LEU . 61.4 m-85 -86.23 154.16 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 10.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 93' ' ' GLY . 65.5 m -141.15 149.45 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 10.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 8.6 p90 -142.96 147.76 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.671 1.232 . . . . 10.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 83' ' ' CYS . 31.3 p90 -120.18 -7.65 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 111.057 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 1.3 t . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.352 1.032 . . . . 10.0 108.346 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.584 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.46 0.172 . . . . 10.0 110.984 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.619 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 26.6 m -121.44 120.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.403 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -117.02 169.78 13.2 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.465 1.103 . . . . 10.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -145.55 120.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 10.0 109.21 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.03 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 109.399 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.5 t -144.52 123.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 10.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 98' ' ' ASP . 3.6 t -90.87 171.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 10.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.561 ' H ' HG12 ' A' ' 97' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.577 1.173 . . . . 10.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' ALA . 4.7 p-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -79.6 157.03 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -146.76 162.62 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.386 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -140.39 144.2 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.34 150.74 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.595 ' SD ' HD11 ' A' ' 41' ' ' ILE . 22.3 mtt -85.05 89.53 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 10.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.46 -140.43 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 10.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -142.38 144.81 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 10.0 110.038 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -55.6 18.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 10.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -45.6 38.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 10.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.3 84.3 0.76 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.564 1.165 . . . . 10.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.12 145.22 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 10.0 109.372 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.89 60.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.85 128.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.397 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 82.6 m-85 -76.24 120.78 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 10.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -131.74 125.66 20.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 10.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.11 143.93 79.24 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.025 -2.489 . . . . 10.0 110.988 0.089 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -67.62 -47.24 70.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.87 136.85 47.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 10.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.8 m -143.01 136.6 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.66 142.72 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 10.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 97' ' ' VAL . 0.7 OUTLIER -140.57 -179.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -120.14 179.17 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.64 82.79 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 143.44 -14.09 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.447 1.092 . . . . 10.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.16 -178.19 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 10.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.7 OUTLIER -129.25 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.247 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.777 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 12.4 t -141.27 118.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 10.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -96.92 139.42 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 10.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.777 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.7 m-90 -124.7 100.04 6.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.62 1.2 . . . . 10.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' OG ' ' A' ' 68' ' ' SER . 9.8 p -88.33 142.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -83.62 118.22 23.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -97.63 -57.46 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.512 1.132 . . . . 10.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -172.15 -170.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 10.0 109.231 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp 68.28 70.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.359 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.67 161.3 46.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 10.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 164.09 89.2 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.968 -2.513 . . . . 10.0 110.998 0.077 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -176.96 148.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 10.0 109.658 -179.97 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.96 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.2 mp -123.33 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 27.5 t -84.4 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 10.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -108.71 148.57 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 10.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -103.71 155.03 18.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -98.91 77.18 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 10.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.24 106.85 17.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.99 -39.94 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 10.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.1 t -85.22 168.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 0.757 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.62 151.12 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -54.78 25.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.858 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -49.86 -49.86 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -51.41 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -53.84 -22.29 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.34 -50.2 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.633 1.208 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.42 76.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -82.96 -6.58 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.478 1.111 . . . . 10.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.4 t -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 10.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 5.2 m170 -82.53 103.1 11.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 10.0 109.627 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.39 -32.75 24.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.37 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.55 131.29 10.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 10.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' H ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -89.32 179.06 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 0.717 . . . . 10.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.43 157.87 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 10.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 22.6 m-85 -133.33 -47.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 10.0 111.029 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.3 136.84 36.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.41 77.9 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.82 -40.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 10.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.83 99.91 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.583 0.814 . . . . 10.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.421 ' OG ' HG23 ' A' ' 32' ' ' VAL . 1.4 m -111.56 138.16 48.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 10.0 110.015 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 57.4 m-85 -92.92 174.34 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -145.59 149.74 35.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.083 . . . . 10.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 8.9 p -145.42 129.59 17.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 10.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 28' ' ' GLU . 90.2 m -90.21 128.8 36.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 10.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.903 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-30 -96.4 99.66 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -96.63 -48.47 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 10.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.38 119.99 79.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.548 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -75.03 68.06 5.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 10.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.62 -138.55 5.22 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.481 1.113 . . . . 10.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.24 105.32 4.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 0.81 . . . . 10.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 56' ' ' LEU . 56.6 m-85 -88.88 147.64 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 10.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 m -142.67 150.07 39.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.185 . . . . 10.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 8.1 p90 -134.85 162.96 30.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -144.71 77.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' TYR . 53.1 t . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.398 1.061 . . . . 10.0 108.34 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.443 0.163 . . . . 10.0 111.02 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 93' ' ' GLY . 77.9 t 54.08 -101.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.637 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 61.4 119.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 10.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -144.86 159.05 43.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 10.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.7 t -121.84 156.0 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 10.0 109.406 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 23' ' ' ILE . 70.3 t -131.4 131.56 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 10.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.7 t -100.88 148.81 6.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.504 1.128 . . . . 10.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.297 -179.995 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -140.57 148.05 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.2 t -137.38 155.92 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -143.18 138.18 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 10.0 109.211 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -99.07 110.96 23.48 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.533 1.146 . . . . 10.0 109.218 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.59 ' HE1' HD11 ' A' ' 41' ' ' ILE . 10.0 mtt -35.79 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 10.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 177.17 51.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.401 1.063 . . . . 10.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 15' ' ' VAL . 28.7 m -142.23 131.28 23.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.729 . . . . 10.0 110.041 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 60.0 12.68 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 35' ' ' LYS . 4.8 t 50.26 52.15 15.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.427 ' CA ' HD21 ' A' ' 36' ' ' LEU . . . -167.79 -44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 10.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.01 146.48 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 10.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -104.07 104.77 14.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 10.0 109.244 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' OG ' ' A' ' 9' ' ' SER . 17.2 m -148.78 -170.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 16' ' ' PHE . 1.2 p90 -145.07 111.11 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 10.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -143.06 141.96 20.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 10.0 110.308 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.95 133.68 32.49 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.048 -2.48 . . . . 10.0 110.971 0.037 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 91.2 p -38.17 -53.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 10.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -114.47 150.89 34.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 10.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.5 m -140.37 161.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.05 138.35 41.39 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.543 1.152 . . . . 10.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.996 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.04 162.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 10.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 mmtt -111.95 158.12 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.232 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 101.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 10.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.73 -20.24 7.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 10.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -75.0 -179.07 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 10.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -137.26 172.31 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 2.3 t -130.93 162.39 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 10.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 5.3 ttmt -128.89 122.89 31.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.415 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 21.2 m-90 -108.24 99.81 9.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.965 -1.124 . . . . 10.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.88 144.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 10.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -86.01 136.91 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 10.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.66 -54.81 2.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 10.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 1.1 tttm -178.8 -170.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.432 1.083 . . . . 10.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.18 55.34 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 10.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.42 161.24 49.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 10.0 109.975 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.975 -2.51 . . . . 10.0 110.978 -0.014 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.27 130.08 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 109.645 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.472 HD21 HD12 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -129.64 123.75 32.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 10.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.641 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -99.0 67.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 10.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 38.3 t -78.56 137.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 10.0 109.394 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.641 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.9 m-85 -110.96 134.12 52.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 10.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -87.36 163.86 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.489 1.118 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.69 75.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 10.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.67 -81.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.71 86.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 10.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.77 158.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.04 166.82 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.192 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.55 -56.11 5.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 10.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.62 -54.77 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 m -51.73 -41.86 61.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 10.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -64.67 -33.37 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.79 64.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -33.8 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 10.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.815 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.32 -9.01 46.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 10.0 109.353 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 13.3 t -82.89 138.19 33.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 10.0 109.894 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.542 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.8 m-70 -100.09 99.93 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 10.0 109.633 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 38.17 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.91 -42.58 1.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 10.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD22 ' CE2' ' A' ' 63' ' ' PHE . 4.1 tt 80.82 135.34 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 10.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.63 135.4 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 10.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 61' ' ' LEU . 9.4 m-85 -118.06 -67.41 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 10.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 162.18 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.61 1.193 . . . . 10.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.16 92.66 6.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 10.0 109.376 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.5 -32.48 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 10.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.16 124.1 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 10.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -123.8 161.85 24.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 35.4 m-85 -117.65 174.05 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 10.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.2 m -145.78 149.46 34.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 10.0 110.418 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -145.34 130.11 18.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 10.0 109.99 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HD21 ' A' ' 56' ' ' LEU . 31.8 m -99.36 116.59 31.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 10.0 110.322 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.746 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -81.65 99.07 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -17.32 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -110.66 123.71 34.94 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.44 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.05 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.94 -152.22 5.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 10.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m -127.58 100.72 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.815 ' CD2' HD12 ' A' ' 56' ' ' LEU . 68.2 m-85 -81.32 138.35 35.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 10.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 m -120.12 139.73 52.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 10.0 110.479 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 34.9 p90 -139.46 153.77 47.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.777 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -161.25 166.32 27.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 108.342 179.964 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -108.94 -20.29 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 10.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -38.34 142.1 0.37 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.645 1.215 . . . . 10.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.76 170.6 15.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 10.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 96' ' ' VAL . 22.0 t -114.93 162.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 95' ' ' VAL . 46.4 t -141.91 122.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.319 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -109.84 110.09 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 10.0 109.227 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.37 179.918 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -112.57 119.65 38.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -115.2 150.05 36.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.963 HG11 ' CD1' ' A' ' 16' ' ' PHE . 49.1 t -132.96 152.17 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -96.86 96.65 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 41' ' ' ILE . 11.4 mtt -34.47 -49.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 10.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.18 173.07 14.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.414 ' OG ' HG22 ' A' ' 15' ' ' VAL . 14.9 m -94.96 140.95 29.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.783 . . . . 10.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.6 -46.05 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -52.22 -70.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.073 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 58.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.9 -175.63 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 10.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -136.23 64.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 10.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' OG ' ' A' ' 9' ' ' SER . 24.6 m -121.32 137.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.963 ' CD1' HG11 ' A' ' 5' ' ' VAL . 71.3 t80 -92.26 106.23 18.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 10.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tp10 -126.15 137.03 29.39 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.92 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 141.08 70.65 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.996 0.025 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 t -42.07 -50.03 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.984 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.3 m -119.69 125.35 48.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 10.0 110.375 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.92 HG12 ' HG2' ' A' ' 18' ' ' PRO . 4.5 m -119.5 141.98 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.95 132.85 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.181 . . . . 10.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.778 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.19 164.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 10.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 22.1 mtmt -109.6 156.34 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.85 93.18 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 134.41 -27.3 3.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 10.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 76.9 mm-40 -73.95 -179.56 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 10.0 110.367 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.1 pm0 -134.5 175.65 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' ALA . 2.0 t -132.3 132.11 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -95.29 130.62 41.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 15.4 m-90 -114.8 100.23 8.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 10.0 107.988 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -87.7 137.57 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 57.6 t30 -86.37 100.43 12.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.64 -71.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 10.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -170.29 -172.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 10.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 65.13 65.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -81.52 161.51 61.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 10.0 109.974 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.96 -172.97 11.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.501 . . . . 10.0 110.983 -0.016 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -151.61 114.27 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.561 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -119.07 142.45 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 10.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.677 HG22 ' CE1' ' A' ' 43' ' ' PHE . 8.0 mt -126.11 71.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.06 137.24 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.237 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -108.46 127.09 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 10.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.44 175.24 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.95 70.49 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 10.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.99 70.17 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -20.12 41.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -101.32 152.2 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.21 149.32 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -57.7 -60.78 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -58.0 3.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 10.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.5 m -50.64 -37.92 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 110.395 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -66.89 -31.04 71.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.72 -20.79 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -38.24 17.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 10.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.841 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -88.61 -9.74 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.3 t -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 10.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 13.2 m-70 -103.89 99.47 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 10.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.04 34.0 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.24 -147.01 15.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 10.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.52 119.7 1.23 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 0.77 . . . . 10.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 33' ' ' ASN . . . -97.92 129.39 44.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 10.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -123.11 -70.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.11 142.27 39.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.12 80.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.34 -38.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 10.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.48 102.17 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 10.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 p -111.39 149.03 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 10.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.9 m-85 -100.78 170.07 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -146.63 141.48 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.48 ' HG ' ' HH2' ' A' ' 31' ' ' TRP . 5.4 p -137.62 127.52 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 110.038 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.545 ' O ' HD21 ' A' ' 56' ' ' LEU . 27.5 m -95.2 132.41 40.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 10.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.8 m-85 -100.0 98.36 9.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -42.01 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.62 125.09 60.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 89.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.83 -142.8 4.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 10.0 111.069 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -137.85 106.49 5.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 0.766 . . . . 10.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.841 ' CD2' HD12 ' A' ' 56' ' ' LEU . 77.4 m-85 -90.51 138.97 31.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 10.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.7 m -126.9 145.07 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' A' ' 16' ' ' PHE . 9.9 p90 -146.19 -179.52 6.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 10.0 110.975 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 5.2 p90 -164.28 140.12 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 108.312 179.97 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.475 0.179 . . . . 10.0 110.975 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.809 HG22 ' H ' ' A' ' 93' ' ' GLY . 2.9 p 44.11 -165.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.809 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 107.38 139.77 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 10.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 156.1 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.11 152.13 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.88 121.67 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 10.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.778 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -95.69 135.63 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 109.364 179.923 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.34 163.1 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 14.8 t -144.35 166.84 23.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 10.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -144.79 156.59 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 10.0 109.356 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.99 132.22 56.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -75.2 86.89 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 111.02 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 178.14 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 10.0 111.061 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.51 159.99 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 10.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -54.24 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -61.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.382 1.052 . . . . 10.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.88 47.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 10.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 151.3 41.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.344 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 pp -82.99 91.59 7.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 14' ' ' LEU . 15.1 m -157.95 127.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 36.9 m-85 -80.19 117.93 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.1 tp10 -135.86 131.77 19.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 10.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 134.08 34.3 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 10.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 70.1 p -53.83 -53.75 48.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 110.052 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -104.08 140.18 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 110.454 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.4 m -143.55 162.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.38 142.69 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.932 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -145.51 159.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 10.0 109.307 179.915 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.932 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -115.4 166.89 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 10.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.99 134.43 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 10.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.66 -19.2 34.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.558 1.161 . . . . 10.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.99 -179.25 4.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 10.0 110.262 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -138.57 170.78 15.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -128.87 162.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.7 ttmm -126.18 131.68 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 24.1 m-90 -118.53 99.74 7.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' HD3' ' A' ' 30' ' ' LYS . 54.1 t -93.01 139.78 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -84.06 138.63 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.399 1.062 . . . . 10.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -108.93 -61.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 10.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 -177.67 3.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mp 75.63 70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 58.6 p -96.54 151.27 37.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.6 Cg_endo -74.94 -173.7 12.76 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.023 -2.491 . . . . 10.0 110.99 -0.011 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -155.33 148.62 24.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 10.0 109.669 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 14.1 t-20 -146.54 154.87 42.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 10.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.9 mt -131.51 61.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 10.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 54.5 t -74.83 134.82 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -104.4 142.45 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 10.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.31 152.81 20.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 10.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.29 76.76 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 10.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -105.27 98.88 8.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 10.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.32 -20.93 27.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 10.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.94 154.21 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.754 . . . . 10.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.02 156.13 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.7 -49.79 19.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -51.68 -64.21 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 10.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -43.42 -58.44 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.16 -37.98 56.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -53.77 -52.88 58.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -45.61 89.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.941 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -70.11 -12.53 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 10.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -80.01 121.91 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 10.0 109.906 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 12.5 m170 -74.43 103.15 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 10.0 109.664 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 40.08 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 10.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.79 -36.65 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 10.0 111.039 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.45 124.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 10.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -126.16 129.43 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 10.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.5 p90 -132.69 -43.52 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 10.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 113.64 18.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.0 109.273 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.45 126.23 9.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.42 -44.55 1.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 10.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.87 121.28 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 0.807 . . . . 10.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -130.48 135.08 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 62.4 m-85 -98.59 175.98 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 29' ' ' VAL . 88.1 m -145.58 152.31 39.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 10.0 110.395 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.5 m -130.36 164.1 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 10.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.609 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.7 m -133.0 123.05 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 10.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -103.37 98.54 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -76.8 -52.85 8.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 10.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.4 mt-10 -88.93 132.5 37.98 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.468 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.0 98.31 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 10.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.06 -139.49 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 m -145.42 102.12 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 10.0 110.448 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CE2' HD13 ' A' ' 56' ' ' LEU . 43.0 m-85 -85.61 157.27 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 63.2 m -134.57 145.79 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 10.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 7.4 p90 -147.04 167.96 22.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 10.0 111.024 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 6.7 p90 -163.15 -164.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 10.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 10.0 108.275 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.558 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 2.1 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.568 0.223 . . . . 10.0 111.02 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 93' ' ' GLY . 78.4 t -81.91 -90.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 59.93 125.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.585 1.178 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -136.86 156.55 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 10.0 109.197 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -104.21 146.87 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.24 132.77 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.233 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.633 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.5 t -103.86 169.6 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 10.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' H ' HG12 ' A' ' 97' ' ' VAL . 24.7 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.77 150.85 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 145.89 45.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 10.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.684 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 12.1 t -137.78 128.62 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 10.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 144.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.646 1.216 . . . . 10.0 109.242 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.558 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.92 75.4 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 10.0 110.982 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.83 -140.26 11.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 10.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.73 151.02 38.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 10.0 110.063 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -45.14 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 10.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -60.45 -63.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 10.0 109.986 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 10.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 36' ' ' LEU . . . -118.63 -173.42 2.47 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 0.752 . . . . 10.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -114.14 -48.3 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -44.69 134.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.684 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -75.35 139.95 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -144.72 127.65 8.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.577 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 134.02 34.06 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.066 -2.473 . . . . 10.0 110.997 -0.064 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 10.0 110.07 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -107.98 140.26 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG12 ' HG2' ' A' ' 18' ' ' PRO . 10.6 m -138.01 150.17 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.87 143.25 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.572 1.17 . . . . 10.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.9 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -138.78 152.88 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.204 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.9 ' H ' HD13 ' A' ' 23' ' ' ILE . 5.2 mttt -105.14 141.11 37.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 124.75 -16.99 7.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 10.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 72' ' ' THR . 1.1 mm-40 -75.32 -179.76 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 10.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.5 mt-10 -125.51 171.79 10.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 10.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.69 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.9 t -141.55 135.29 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -104.89 131.68 52.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 10.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.69 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 14.7 m-90 -116.97 99.2 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.99 147.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 10.0 109.209 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -84.09 125.8 32.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.31 -62.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 10.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.1 OUTLIER 179.95 -172.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 10.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 13' ' ' ALA . 11.0 mp 66.01 45.05 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 10.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.522 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.97 162.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.056 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.89 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.028 -2.488 . . . . 10.0 111.028 -0.162 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 1.7 m-70 69.38 100.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.589 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 2.9 m120 -106.02 171.09 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.1 mt -125.97 57.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.349 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 61.7 t -77.09 135.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 10.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 41' ' ' ILE . 8.4 m-85 -109.64 135.47 50.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 10.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.99 152.64 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 10.0 109.206 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.58 72.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 10.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.86 101.44 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.345 1.028 . . . . 10.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -40.85 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 10.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 49' ' ' ASP . 22.6 t -83.42 165.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 10.0 109.386 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.8 m-20 -63.21 156.84 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.199 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.82 -56.5 5.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 10.0 109.237 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.692 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -44.8 -59.94 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 10.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -48.53 -50.45 31.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 10.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.34 -29.44 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.307 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.23 -51.7 67.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.004 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -71.76 -11.26 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t -86.62 135.34 33.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 10.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 35.3 m-70 -109.32 100.1 9.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 10.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -94.3 39.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 10.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -121.1 139.23 13.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.449 1.093 . . . . 10.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.46 130.52 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.261 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.87 155.33 19.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 10.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 23.6 m-85 -156.71 -51.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 10.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -74.54 121.22 21.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.51 74.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . -171.94 -39.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 10.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.31 99.9 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 10.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.9 p -109.34 150.6 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 10.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -107.63 174.45 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 10.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.1 m -145.33 152.92 40.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 10.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' HD23 ' A' ' 56' ' ' LEU . 3.4 p -144.5 -179.92 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 10.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' GLU . 20.5 m -146.56 144.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 10.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -115.1 98.42 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 10.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 -46.88 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 10.0 110.427 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 126.44 68.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 10.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.484 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 84.4 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 10.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.49 -144.12 4.68 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 10.0 110.967 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -138.91 109.96 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 10.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 1.004 ' CE2' HD13 ' A' ' 56' ' ' LEU . 52.5 m-85 -90.94 160.93 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.4 m -141.96 150.3 41.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 10.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 24.2 p90 -144.62 157.78 44.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 10.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 2.0 p90 -167.41 117.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 108.254 -179.98 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 38.5 ttp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.505 0.193 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 93' ' ' GLY . 7.1 t 71.98 169.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 119.19 121.66 3.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 10.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -144.91 164.35 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 10.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.19 157.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.48 127.78 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 10.0 109.426 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.4 t -94.97 118.15 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.098 . . . . 10.0 109.293 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -142.6 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -142.76 138.64 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 10.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.5 t -137.36 147.5 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 10.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.836 ' CG2' HG11 ' A' ' 21' ' ' VAL . 24.9 t -140.66 123.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 129.67 34.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.565 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 14.8 mtt -70.99 77.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 10.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.82 169.2 20.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 10.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.5 t -100.57 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 10.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -59.09 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -39.48 -50.65 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 10.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.89 59.04 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.65 165.01 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -63.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' H ' HG13 ' A' ' 15' ' ' VAL . 5.9 m -40.48 144.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CZ ' ' CE ' ' A' ' 91' ' ' MET . 20.7 m-85 -86.48 149.08 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.2 143.1 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.843 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 134.28 35.22 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 10.0 110.979 0.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.3 m -38.42 -51.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -114.94 138.23 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.8 m -136.52 136.27 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.63 138.74 39.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -141.16 161.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.4 mmtp -107.03 151.45 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 10.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -70.27 93.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.6 -17.67 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 10.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 47.9 mm-40 -74.71 176.28 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.2 mt-10 -122.85 163.67 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 10.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.0 t -125.75 160.42 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 10.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.8 ttpt -135.63 124.42 23.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 12.6 m-90 -109.59 99.51 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 10.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -80.3 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 10.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.418 HD22 ' HB1' ' A' ' 62' ' ' ALA . 6.7 t-20 -79.8 120.33 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 10.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.03 -57.44 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -177.4 -164.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 10.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 65.56 70.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.83 162.69 39.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 10.0 109.98 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HB2' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.03 168.9 76.06 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.001 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -178.72 166.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.55 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -152.03 175.42 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.638 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -118.76 96.51 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.8 t -93.56 131.25 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.638 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -108.48 137.44 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.08 153.08 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.35 79.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.98 -73.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.71 15.26 60.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.131 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 79' ' ' TYR . 57.5 t -133.0 166.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -64.36 157.76 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.57 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -40.85 -51.2 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 m -50.38 -67.66 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -43.42 -44.23 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -40.29 -67.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.11 -55.24 8.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 10.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -53.74 -26.04 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 p -78.14 122.7 25.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 10.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.482 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 42.1 m-70 -93.88 100.63 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 109.646 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 36.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.61 -136.73 9.43 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.959 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -175.35 107.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 10.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -95.79 128.53 42.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CE1' HD12 ' A' ' 61' ' ' LEU . 44.0 m-85 -123.15 -55.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.73 151.04 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 74.69 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.73 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 10.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -75.23 108.0 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.55 131.79 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 30.0 m-85 -83.7 179.29 7.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 10.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 29' ' ' VAL . 69.4 m -144.36 151.4 39.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 10.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.579 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.7 t -136.86 166.27 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.406 HG23 ' HG3' ' A' ' 28' ' ' GLU . 6.5 m -139.98 122.31 16.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.665 ' CE1' HD21 ' A' ' 56' ' ' LEU . 5.1 m-85 -100.93 98.85 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.63 -55.7 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 10.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 131.6 72.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 10.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.22 -144.74 4.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 10.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 95' ' ' VAL . 15.8 m -143.36 102.08 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 10.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 56' ' ' LEU . 61.7 m-85 -84.33 148.07 26.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.1 m -132.29 153.65 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 3.8 p90 -148.2 158.2 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.4 p90 -150.57 136.56 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.432 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -71.18 116.79 11.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 108.306 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.0 mt-10 -77.59 -51.69 1.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 10.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -88.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 10.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.645 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 0.8 OUTLIER 52.09 -164.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 10.0 109.643 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -160.86 55.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 10.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.27 -102.08 0.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.485 1.116 . . . . 10.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.73 74.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 38.95 -155.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 10.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.01 ' HE1' 'CU ' ' A' ' 99' ' ' ' CU' . 44.0 mtm -155.04 153.47 31.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.4 m -118.84 130.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.64 138.37 2.44 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 10.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -142.82 172.62 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.77 . . . . 10.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 78' ' ' THR . 40.1 t -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 95' ' ' VAL . 54.1 t -145.97 133.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -104.74 147.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 10.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . 1.01 'CU ' ' HE1' ' A' ' 91' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -75.2 141.02 43.65 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 10.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.858 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -120.3 137.74 54.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 t -145.12 149.1 34.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.71 140.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.217 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -97.33 120.42 37.65 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.411 1.069 . . . . 10.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.765 ' HE1' HD11 ' A' ' 41' ' ' ILE . 71.6 mtm -70.02 79.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 10.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.55 -159.62 18.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 10.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 6.1 m -136.62 149.68 48.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 10.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -54.31 -59.04 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.11 -59.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 10.0 110.017 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.57 74.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.9 162.6 39.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 0.794 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -97.07 78.26 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 10.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.486 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 33.2 m -131.88 168.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 2.8 p90 -131.52 111.96 12.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 10.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.5 mt-10 -139.05 140.89 28.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.04 . . . . 10.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.832 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.14 134.37 35.6 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.996 -2.502 . . . . 10.0 111.006 0.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 3.3 t -38.53 -53.04 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 10.0 109.949 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 4.4 m -118.26 146.49 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.832 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.4 m -136.35 147.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 10.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.85 141.66 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 10.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.956 HD12 HG23 ' A' ' 29' ' ' VAL . 6.7 tt -145.3 157.83 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -93.44 171.63 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 10.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.71 85.97 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.097 . . . . 10.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 139.62 -11.64 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 10.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.84 -179.21 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 10.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.1 mt-10 -128.25 161.71 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 10.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.956 HG23 HD12 ' A' ' 23' ' ' ILE . 3.7 t -119.95 157.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.394 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 123.84 30.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.709 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.3 m-90 -112.98 99.87 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.8 135.19 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -80.66 112.48 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.541 ' ND2' ' O ' ' A' ' 9' ' ' SER . 12.1 t30 -77.32 -66.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 10.0 109.221 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.96 -166.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 HD21 ' A' ' 14' ' ' LEU . 4.3 mm? 65.74 61.01 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -84.4 160.92 55.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.07 174.23 53.82 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.966 -2.514 . . . . 10.0 111.055 0.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -142.61 146.63 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 10.0 109.609 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.437 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 11.9 t-20 -145.48 145.69 31.18 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.577 1.173 . . . . 10.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.8 mt -123.97 68.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.377 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -81.78 145.54 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.809 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -120.8 128.09 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 10.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -83.02 146.55 28.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.397 1.061 . . . . 10.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -102.03 82.16 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.42 -65.47 0.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.495 1.122 . . . . 10.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.13 22.92 37.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -138.73 165.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.23 -179.38 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -62.22 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 10.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.7 -50.18 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 10.0 109.272 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.5 m -54.92 -66.62 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 10.0 110.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -47.2 -31.3 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.42 -55.84 28.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -52.77 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.861 HD22 ' CE2' ' A' ' 79' ' ' TYR . 7.7 mp -64.63 -17.69 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 10.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.2 t -84.7 128.18 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.541 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 32.0 m80 -102.5 101.16 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -40.24 40.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 10.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.64 121.13 19.12 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.605 1.191 . . . . 10.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -79.74 151.05 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.729 . . . . 10.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.52 153.59 18.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 10.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -141.41 -60.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.92 128.35 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 10.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 86.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 10.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.13 -33.73 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 10.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.56 100.02 9.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 10.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 p -106.76 153.59 22.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 10.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.541 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 22.6 m-85 -106.59 173.29 6.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 10.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.0 m -144.38 150.92 38.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.441 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 20.3 p -139.73 165.99 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 10.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 m -123.14 130.36 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 10.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-85 -104.03 98.24 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 10.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -93.39 -42.97 8.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -78.84 120.49 81.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 64.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.28 -141.45 5.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 10.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 95' ' ' VAL . 3.1 m -140.56 117.6 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 10.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.861 ' CE2' HD22 ' A' ' 56' ' ' LEU . 60.2 m-85 -99.38 156.48 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.5 m -131.84 148.39 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 10.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -153.34 169.12 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.449 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -177.59 177.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 10.0 110.97 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 86' ' ' HIS . 35.9 m -97.19 123.08 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -79.4 -50.1 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 10.0 110.409 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 17.9 Cg_endo -74.97 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 10.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 83' ' ' CYS . 2.5 t60 -49.45 134.58 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.654 1.221 . . . . 10.0 109.616 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -119.83 79.77 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 10.0 110.348 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -172.72 -105.84 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 10.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 172.94 88.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 10.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.62 -152.84 23.27 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.416 1.073 . . . . 10.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.559 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.85 90.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 10.0 110.954 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.56 HG23 ' H ' ' A' ' 93' ' ' GLY . 14.1 m -137.8 -58.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.56 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 58.71 156.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.505 1.128 . . . . 10.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 20' ' ' THR . 0.8 OUTLIER -144.2 156.32 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 78' ' ' THR . 2.2 t -119.7 157.42 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 10.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.0 t -136.98 117.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.594 1.184 . . . . 10.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 73' ' ' PHE . 8.9 t -75.15 160.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 10.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 35.9 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -76.04 144.22 40.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 10.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.643 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -88.37 127.46 35.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 t -117.77 148.32 42.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 10.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 5.5 t -135.6 129.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 10.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.06 137.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.568 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 46.5 mtt -73.43 101.65 3.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 10.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.75 -140.56 15.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.579 1.174 . . . . 10.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.614 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.4 m -143.81 154.91 43.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 10.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.93 -53.94 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 10.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -58.38 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 10.0 109.947 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.41 80.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 10.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -136.07 165.58 25.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.386 0.698 . . . . 10.0 109.215 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 36' ' ' LEU . 1.5 mm? -92.19 -56.47 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 10.0 109.3 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.0 m -40.35 139.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 10.0 109.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 2.6 m-85 -77.61 141.03 39.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 10.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.0 tt0 -140.5 130.82 13.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.463 1.102 . . . . 10.0 110.371 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.96 133.42 31.32 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.017 -2.493 . . . . 10.0 111.009 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -49.01 -52.92 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -104.97 143.56 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.2 m -145.08 171.84 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 10.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.55 138.55 50.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 29' ' ' VAL . 1.4 tt -145.44 152.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.0 mttm -90.47 160.47 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.77 109.26 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 -17.75 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -74.28 179.65 4.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 10.0 110.239 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.3 pm0 -126.75 173.61 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 10.0 110.286 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.85 ' O ' HG23 ' A' ' 70' ' ' THR . 2.2 t -130.84 163.47 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 10.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 9.4 ttmt -133.19 130.38 39.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.583 ' CZ3' ' CE1' ' A' ' 58' ' ' HIS . 5.8 m-90 -120.6 102.26 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -89.72 132.71 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -77.05 131.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -112.47 -67.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.087 . . . . 10.0 109.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -166.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 14' ' ' LEU . 4.5 mm? 63.93 68.76 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 10.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -125.0 161.26 50.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 10.0 109.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 171.44 68.11 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.998 -2.501 . . . . 10.0 110.967 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 2.9 p80 -176.6 132.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 10.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.4 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 3.9 m-20 -105.74 177.28 4.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.736 HG22 ' CE1' ' A' ' 43' ' ' PHE . 11.7 mt -134.0 66.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 t -79.67 130.51 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -101.22 130.89 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 10.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.74 148.45 28.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.25 79.9 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.589 1.181 . . . . 10.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.99 -74.04 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.15 4.2 85.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 10.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ASP . 34.0 t -120.54 164.08 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.45 0.735 . . . . 10.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . 37.4 m-20 -68.89 165.89 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.77 -70.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.267 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.788 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.36 -55.9 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -49.15 -61.0 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 10.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -55.23 -22.14 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 10.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.88 -29.71 66.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -88.35 -22.76 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 1.057 . . . . 10.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.832 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.94 -10.74 30.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.387 1.054 . . . . 10.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.0 t -88.57 140.65 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.583 ' CE1' ' CZ3' ' A' ' 31' ' ' TRP . 3.0 m80 -113.29 99.33 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.52 -37.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 109.198 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 116.4 131.99 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 10.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.97 34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 10.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' C ' ' CG ' ' A' ' 63' ' ' PHE . . . -106.41 136.66 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 10.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.468 ' CG ' ' C ' ' A' ' 62' ' ' ALA . 36.0 m-85 -158.61 -49.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 136.61 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.79 84.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.91 -36.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 10.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.69 133.33 37.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 10.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -129.11 146.3 51.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 10.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.493 ' HB3' ' CD2' ' A' ' 58' ' ' HIS . 22.1 m-85 -100.98 168.58 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 29' ' ' VAL . 29.4 m -145.01 149.76 35.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 110.386 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.9 t -141.09 141.27 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 110.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m -115.45 108.72 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 10.0 110.401 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.743 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.5 m-85 -84.34 99.65 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 10.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -79.37 -47.32 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 10.0 110.311 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.82 127.24 58.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 10.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.87 88.7 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 10.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.08 -141.58 4.2 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -141.99 100.57 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 56' ' ' LEU . 55.9 m-85 -82.65 151.34 26.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 25.0 m -131.14 144.38 51.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.497 1.123 . . . . 10.0 110.384 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 12.8 p90 -150.62 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p90 -160.29 -177.85 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 10.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -123.72 94.94 4.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.581 1.175 . . . . 10.0 108.277 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -52.09 -52.11 65.18 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 10.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.96 -86.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.572 1.828 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 66.15 -167.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.598 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.27 -46.63 32.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.421 1.075 . . . . 10.0 110.316 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 145.94 53.93 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.515 1.134 . . . . 10.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.09 -76.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 10.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.02 162.01 12.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 10.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.491 ' CE ' ' CE2' ' A' ' 16' ' ' PHE . 3.9 ttt -146.73 108.74 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 10.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.2 m -110.53 153.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.94 134.86 1.95 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.597 1.185 . . . . 10.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -135.99 164.83 27.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.567 0.804 . . . . 10.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.33 153.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 10.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.83 118.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.9 t -88.64 160.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ILE . 2.6 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 10.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -114.68 152.98 31.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 10.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -103.25 136.11 43.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 10.0 109.38 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.8 t -126.99 145.61 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.89 142.38 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 10.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -96.44 104.55 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.551 1.157 . . . . 10.0 109.365 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.521 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -36.92 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 10.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' CA ' ' HB3' ' A' ' 34' ' ' ASN . . . -92.02 -150.59 26.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 10.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -144.65 163.97 32.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 109.972 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -40.95 96.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' GLY . 23.3 m -88.4 42.42 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 10.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 37.33 53.98 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -111.13 121.59 45.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 10.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.07 HD13 ' HB1' ' A' ' 89' ' ' ALA . 1.9 pp -75.16 58.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.86 134.21 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 10.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 19' ' ' SER . 45.9 p90 -97.77 108.79 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.99 141.24 38.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 139.66 62.96 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.04 -2.483 . . . . 10.0 111.046 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 16.6 p -36.6 -48.19 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 10.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -122.44 151.15 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 10.0 110.353 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.679 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -138.2 144.21 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 10.0 109.328 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.746 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.3 p -86.49 143.73 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.856 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.38 171.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.678 ' O ' HD13 ' A' ' 23' ' ' ILE . 10.5 mmtt -117.28 145.57 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.375 1.047 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 97' ' ' VAL . . . -62.4 100.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 10.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 121.29 -15.45 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 10.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -74.89 -179.55 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -125.55 162.13 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 10.0 110.237 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 7.1 t -130.3 133.29 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.85 129.66 53.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 10.0 109.35 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 7.1 m-90 -116.13 99.28 7.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.048 -1.094 . . . . 10.0 108.048 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.54 135.84 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.34 99.72 6.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.61 1.194 . . . . 10.0 109.359 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -68.98 -60.03 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -174.78 -166.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.34 70.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 10.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.5 m -95.85 160.23 30.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 109.964 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 -60.25 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.961 -2.516 . . . . 10.0 110.963 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 0.0 OUTLIER 60.48 145.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 10.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.678 ' ND2' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -136.22 175.66 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 10.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.686 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.1 mt -123.24 83.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.678 HG23 ' ND2' ' A' ' 40' ' ' ASN . 59.0 t -86.0 132.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 10.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.686 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -105.61 133.49 50.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 10.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.74 160.1 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 10.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.78 78.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.48 -68.26 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.31 12.09 61.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 10.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -127.65 158.8 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 10.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.99 174.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.07 -70.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 10.0 109.373 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.36 -49.72 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -50.24 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 10.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -47.55 -58.0 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -38.67 -52.3 1.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 10.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -52.94 62.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.6 1.187 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.911 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -67.79 -9.61 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 p -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 10.0 110.026 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.9 m-70 -82.88 102.2 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 10.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -92.15 27.97 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 10.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 150.42 16.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.601 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mp -109.54 123.27 49.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 10.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -84.2 160.54 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 10.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' LEU . 28.4 m-85 -144.32 -47.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.26 33.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 10.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.01 51.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.22 -38.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.59 141.58 48.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 10.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 p -136.38 149.03 48.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 10.0 110.068 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -101.34 172.28 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.37 1.044 . . . . 10.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.9 m -145.73 151.74 38.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.385 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.8 p -145.2 179.97 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 10.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.589 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.4 m -144.7 140.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 10.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -112.94 98.1 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 10.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -83.42 -25.45 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -99.5 122.4 51.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 10.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 80.32 2.47 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.542 1.811 . . . . 10.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.27 -140.12 3.78 Favored Glycine 0 CA--C 1.528 0.864 0 O-C-N 124.541 1.15 . . . . 10.0 111.026 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.0 m -140.61 111.47 6.99 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.398 0.705 . . . . 10.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.911 ' CE2' HD13 ' A' ' 56' ' ' LEU . 25.9 m-85 -88.8 160.16 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -142.85 152.55 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CD2' HG23 ' A' ' 41' ' ' ILE . 29.0 p90 -148.58 154.94 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -144.48 125.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.445 ' CB ' ' HD1' ' A' ' 86' ' ' HIS . 0.9 OUTLIER -66.48 115.32 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -75.88 -55.65 1.87 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.475 1.109 . . . . 10.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 58.27 4.89 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.486 1.782 . . . . 10.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -142.58 77.98 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -49.77 111.27 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 10.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.54 85.61 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.07 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -125.39 -55.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.39 0.7 . . . . 10.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.66 52.55 1.03 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.535 1.147 . . . . 10.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.571 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 96.1 mtp -117.19 136.56 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 10.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.537 ' O ' ' CE2' ' A' ' 81' ' ' TYR . 92.2 t -151.21 -76.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.06 . . . . 10.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.72 150.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 10.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 161.76 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 10.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' THR . 10.7 t -118.52 158.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 10.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' ILE . 87.0 t -139.66 132.45 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.856 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.0 t -110.24 116.08 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.359 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -78.88 141.86 37.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 10.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.56 160.36 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 10.0 109.418 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -140.56 148.85 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.675 ' CG2' HG11 ' A' ' 21' ' ' VAL . 37.3 t -137.28 145.74 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.645 1.216 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 145.83 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 10.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.54 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 23.6 mtt -75.04 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 10.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 160.12 21.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 10.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -81.1 141.81 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 10.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -46.52 -47.15 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 10.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.2 t -48.37 -46.6 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 10.0 110.1 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.63 92.6 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 10.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.76 171.94 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 10.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -91.97 53.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 10.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.25 127.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 10.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 37.6 m-85 -81.25 114.24 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -123.49 141.08 35.41 Favored Pre-proline 0 N--CA 1.45 -0.456 0 O-C-N 124.442 1.088 . . . . 10.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 134.82 37.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.954 -2.519 . . . . 10.0 110.991 0.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.419 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 p -56.37 -48.31 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.934 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -104.84 136.69 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.079 . . . . 10.0 110.393 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 5' ' ' VAL . 26.9 m -145.44 141.52 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 10.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.664 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.33 155.97 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 10.0 109.437 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.661 ' N ' HD13 ' A' ' 23' ' ' ILE . 5.1 mttp -103.03 143.19 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.548 1.155 . . . . 10.0 109.332 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 102.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 10.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.12 -14.55 9.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 10.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -179.64 7.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 10.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 29.7 mt-10 -121.53 164.29 17.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 10.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 HG13 ' A' ' 23' ' ' ILE . 2.3 t -133.52 129.87 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 129.07 53.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 10.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.5 m-90 -113.95 99.49 7.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 10.0 108.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.12 148.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -85.81 145.65 27.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.99 -68.81 0.89 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.105 . . . . 10.0 109.235 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -177.51 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.55 68.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 10.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 24.9 p -96.02 151.6 38.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.97 -169.01 6.95 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.068 -2.472 . . . . 10.0 110.977 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.91 118.29 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.585 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.7 OUTLIER -116.58 137.96 51.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.36 1.038 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.646 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -123.54 76.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.9 t -83.12 129.21 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -102.8 127.51 49.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 10.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 162.82 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.625 1.203 . . . . 10.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -118.59 73.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.0 -83.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.75 63.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 10.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 49' ' ' ASP . 12.3 t -121.38 169.73 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 10.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.53 167.76 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 10.0 109.24 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 -46.87 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 10.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -53.16 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 10.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.1 m -53.41 -39.35 64.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 10.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -78.75 -27.44 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.8 81.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.232 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -79.52 -28.96 41.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.962 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -92.42 -2.58 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.7 t -96.14 124.79 40.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 10.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 11.4 m-70 -101.45 100.84 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -42.98 -35.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 40' ' ' ASN . . . 111.01 124.67 4.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 10.0 111.054 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -171.74 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.779 . . . . 10.0 109.237 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.68 127.67 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.7 p90 -156.13 -47.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.22 109.06 17.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 10.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.1 101.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.85 -36.13 0.5 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.524 1.14 . . . . 10.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -81.89 123.91 29.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 10.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 m -131.35 146.09 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.939 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.471 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 4.8 m-85 -103.62 172.25 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 26.9 m -145.19 156.13 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.439 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 p -145.12 176.94 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 110.002 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 m -146.04 113.56 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.3 m-85 -89.14 98.45 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 10.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.02 -54.15 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.87 128.75 75.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.574 1.171 . . . . 10.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 87.45 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 10.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 -150.27 5.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 10.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 m -134.35 105.77 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 10.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.962 ' CE2' HD13 ' A' ' 56' ' ' LEU . 36.8 m-85 -83.25 154.12 24.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.15 . . . . 10.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 m -136.94 139.44 41.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 25.1 p90 -140.5 153.97 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 10.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 1.8 p90 -141.09 161.2 38.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 61.85 0.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 10.0 108.319 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -50.64 -52.37 56.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.06 60.18 5.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 10.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.6 t-160 -152.41 -66.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 10.0 109.517 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.4 169.41 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 10.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.68 57.38 4.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 10.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.53 -64.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 10.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.57 57.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 10.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.608 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 6.0 mtt -88.54 79.54 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 0.718 . . . . 10.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 93' ' ' GLY . 75.1 t -75.25 -91.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 10.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.32 124.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 10.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 151.82 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 10.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.67 154.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.5 t -134.09 125.6 48.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 109.199 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.446 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -96.47 156.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.405 1.066 . . . . 10.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 10.0 109.244 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -75.03 140.77 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -144.35 138.37 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 10.0 109.294 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 3.5 t -123.28 169.31 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 1.203 . . . . 10.0 110.445 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 86.1 t -145.15 161.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 5' ' ' VAL . 6.3 mttt -120.06 143.41 48.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 10.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.693 ' CE ' HD11 ' A' ' 41' ' ' ILE . 33.1 mtt -81.19 95.78 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.51 -130.58 8.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 10.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.93 167.24 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 0.81 . . . . 10.0 109.936 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -7.37 47.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -59.34 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.25 82.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 10.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.19 169.31 17.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 10.0 109.402 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.5 mt -80.67 -51.34 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -44.53 146.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 10.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 3.0 m-30 -99.62 147.04 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tm-20 -143.87 136.67 13.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 110.323 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.99 153.04 98.95 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.933 -2.528 . . . . 10.0 111.004 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -72.84 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.939 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.4 m -117.36 143.74 45.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 10.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.9 145.62 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 137.3 33.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 10.0 110.357 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -142.95 160.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 10.0 109.364 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -110.06 160.84 16.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 10.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 102.82 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.084 . . . . 10.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 -20.43 7.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 10.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.81 -179.22 4.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 10.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.7 pm0 -134.97 171.3 14.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -134.46 150.04 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 3.7 ttpt -114.15 137.8 51.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 10.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.618 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.6 m-90 -124.31 100.8 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.919 -1.141 . . . . 10.0 107.919 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.43 137.91 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 10.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' ' HE3' ' A' ' 7' ' ' MET . 27.7 t-20 -80.65 125.13 29.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 10.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -88.84 -66.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.75 -166.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' SER . 0.8 OUTLIER 63.96 33.07 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.208 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -40.98 162.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.1 -48.47 0.27 Allowed 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.991 -2.504 . . . . 10.0 111.02 0.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.4 m-70 67.11 115.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 10.0 109.659 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.65 172.76 7.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 10.0 109.212 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mt -123.55 63.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -79.42 139.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.797 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -114.32 128.59 56.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 10.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.69 154.42 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 10.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -110.81 78.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.84 -69.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.058 . . . . 10.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.64 -1.11 83.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 10.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 49' ' ' ASP . 3.4 t -121.42 168.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.769 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -69.1 155.01 41.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -65.51 -56.31 13.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 10.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -51.09 -59.43 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -47.91 -58.42 4.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 10.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -51.45 -32.44 26.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.56 -41.48 98.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -54.39 30.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 10.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -67.05 -17.68 65.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 t -75.57 132.81 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 58.1 m-70 -106.46 100.95 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 10.0 109.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -78.76 -35.82 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.78 149.25 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.424 1.078 . . . . 10.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -97.14 126.79 42.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 0.725 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -102.47 128.31 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 10.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 67.8 m-85 -127.31 -64.57 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.401 1.063 . . . . 10.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.55 142.94 38.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 69.39 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 10.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.04 -42.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.08 99.78 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 10.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.2 p -107.67 150.25 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 10.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 12.3 m-85 -112.17 175.73 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.9 m -145.31 153.73 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.277 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -144.98 134.91 23.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.5 m -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 10.0 110.442 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.751 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.9 m-85 -88.22 97.96 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 10.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.08 -16.68 37.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.18 124.57 33.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.12 84.36 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.554 1.818 . . . . 10.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.47 -150.17 5.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 10.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 m -129.58 118.39 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 0.816 . . . . 10.0 110.306 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 56' ' ' LEU . 64.9 m-85 -100.48 144.4 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 10.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 m -131.32 140.95 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 10.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 17.3 p90 -132.63 155.28 49.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -156.4 161.55 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 10.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.424 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.5 m -105.58 147.94 27.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 10.0 108.203 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.512 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 1.3 mt-10 -83.17 -57.9 0.42 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.325 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.784 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.89 -171.69 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 10.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 3.0 m170 85.35 48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 10.0 109.668 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.6 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -113.66 -38.3 1.2 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.435 1.084 . . . . 10.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 85' ' ' PRO . . . 67.25 63.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 41.45 3.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.429 1.08 . . . . 10.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 16' ' ' PHE . 12.8 mtm -72.27 85.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.53 123.8 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 10.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.59 131.75 1.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -144.91 147.38 32.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 10.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.83 162.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.4 t -141.53 120.64 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 10.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -97.33 121.81 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.15 144.74 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.379 1.049 . . . . 10.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -88.03 148.11 24.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 15.3 t -139.24 150.49 45.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 10.0 110.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.97 128.38 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -83.18 125.49 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.623 1.202 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.606 ' SD ' HD11 ' A' ' 41' ' ' ILE . 33.0 mtm -73.5 85.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 10.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.54 171.7 18.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 5.7 m -97.66 147.77 24.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 10.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -47.04 -62.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.99 -54.82 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 109.95 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 71.03 0.1 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.559 1.162 . . . . 10.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.49 146.32 49.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 0.802 . . . . 10.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 90' ' ' GLY . 0.5 OUTLIER -75.93 75.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 10.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 17.8 m -137.4 179.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.628 1.205 . . . . 10.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -145.18 114.19 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.392 1.057 . . . . 10.0 111.052 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.3 139.1 14.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.568 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.07 141.8 72.78 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.986 -2.506 . . . . 10.0 111.001 0.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -62.65 -40.36 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -120.59 140.34 51.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 10.0 110.366 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' PRO . 29.6 m -138.35 151.49 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 10.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.32 140.3 29.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 10.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG23 HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -145.11 159.15 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 109.298 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -104.13 156.71 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -71.45 100.9 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 10.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.13 -14.76 8.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 10.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -75.2 179.1 5.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 0.754 . . . . 10.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.946 ' HG3' HG23 ' A' ' 72' ' ' THR . 1.5 mt-10 -128.55 165.71 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 10.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 70' ' ' THR . 2.9 t -128.42 162.74 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 10.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -134.58 125.99 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 10.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.53 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -114.81 99.55 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 10.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.67 143.78 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -76.97 138.9 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -108.55 -69.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 10.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.98 -175.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 10.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp 65.6 70.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.362 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -88.54 160.43 44.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.1 -174.6 14.44 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 10.0 110.964 0.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.03 128.54 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' ' N ' ' A' ' 40' ' ' ASN . 1.1 m-80 -137.16 142.0 42.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -117.01 72.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 74.3 t -82.65 134.82 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.238 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.4 m-85 -110.63 123.19 49.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 10.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.757 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.64 155.48 31.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 10.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.94 77.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 10.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -80.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.01 7.85 78.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -126.1 160.95 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.422 0.719 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 157.76 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.14 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 10.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -62.58 -55.54 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.632 1.208 . . . . 10.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -48.29 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 110.422 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.7 -28.17 69.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.45 -42.49 82.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 10.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -30.85 65.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 10.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -90.33 -5.88 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 10.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.5 t -93.3 117.44 30.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 21.5 m-70 -92.57 103.62 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 10.0 109.52 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -97.98 36.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.302 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.18 169.75 13.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.65 125.22 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 10.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.49 120.07 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 10.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 27.8 p90 -143.86 -45.08 0.27 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.634 1.209 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.07 102.07 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 109.22 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 111.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.93 -32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.567 1.167 . . . . 10.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -92.7 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 10.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 159.81 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.988 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 8.6 m-85 -117.95 171.22 8.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 10.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.5 m -145.29 154.77 42.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 10.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 56' ' ' LEU . 2.5 p -141.11 179.62 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.946 HG23 ' HG3' ' A' ' 28' ' ' GLU . 2.1 m -144.76 120.68 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.5 m-85 -95.2 98.55 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 10.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 m -88.32 -26.59 22.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 121.44 61.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 10.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.95 79.71 2.58 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.488 1.783 . . . . 10.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.0 -138.83 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.095 . . . . 10.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -142.56 108.19 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 10.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.83 ' CE2' HG11 ' A' ' 48' ' ' VAL . 43.4 m-85 -87.27 157.14 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 10.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -133.64 152.09 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 10.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 41' ' ' ILE . 26.9 p90 -159.09 169.28 24.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.757 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -168.17 -176.6 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 10.0 110.946 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' CB ' ' ND1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -91.37 138.84 31.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 10.0 108.281 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -55.65 -51.43 80.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -61.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 124.609 1.847 . . . . 10.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' ND1' ' CB ' ' A' ' 83' ' ' CYS . 15.2 m170 -39.91 -73.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.585 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.08 92.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 110.388 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.49 57.87 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 10.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.9 36.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 10.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.767 ' O ' HD23 ' A' ' 14' ' ' LEU . . . 99.65 49.11 1.56 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.132 . . . . 10.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 174.5 123.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 10.0 110.951 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -174.98 -92.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.77 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 70.2 153.87 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 10.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.08 165.66 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 0.82 . . . . 10.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 96' ' ' VAL . 39.1 t -114.14 164.83 9.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.546 1.153 . . . . 10.0 109.259 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.461 ' N ' HG12 ' A' ' 95' ' ' VAL . 92.4 t -144.04 119.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.629 1.206 . . . . 10.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -92.58 156.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 10.0 109.354 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.88 136.53 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 10.0 109.308 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -142.71 154.2 44.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 10.0 109.364 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -142.17 154.99 45.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 10.0 110.447 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.955 HG22 ' HD2' ' A' ' 18' ' ' PRO . 84.3 t -136.57 139.42 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.54 140.69 30.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 10.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 41' ' ' ILE . 12.5 mtt -75.69 93.42 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 157.48 33.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.137 . . . . 10.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -79.83 148.38 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 10.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -41.68 -56.94 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 10.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -43.96 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 10.0 110.08 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.75 62.98 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 10.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.3 150.32 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 61.52 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 10.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' H ' ' A' ' 16' ' ' PHE . 2.1 p -152.45 -165.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.755 ' H ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-85 -141.57 151.71 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 10.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 mp0 -144.55 135.04 12.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 110.249 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.955 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.08 133.93 33.62 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.931 -2.529 . . . . 10.0 111.019 -0.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 8.0 t -38.02 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 10.0 110.022 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -126.75 136.7 52.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -134.04 162.17 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.58 140.33 32.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 10.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.691 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.1 151.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 10.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -97.61 166.07 11.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 10.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.21 90.77 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.67 -28.16 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 10.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.74 -179.56 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.69 174.78 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.758 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 18.2 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 10.0 109.374 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 133.86 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 10.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.758 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.2 m-90 -122.29 99.64 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.0 132.77 31.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 10.0 109.23 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.09 127.65 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 10.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -106.33 -66.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -167.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.8 70.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 10.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -121.85 161.98 39.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 10.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 162.71 92.25 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.876 0.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -179.01 147.43 0.35 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.47 1.106 . . . . 10.0 109.554 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.429 HD21 ' HA ' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -131.58 -174.48 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.3 mt -127.02 81.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 10.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 48.7 t -79.51 147.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 109.412 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -123.06 130.4 52.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.08 161.21 28.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.323 1.014 . . . . 10.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -129.16 74.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -79.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.78 88.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -117.48 160.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 10.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 161.51 11.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -73.78 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -49.25 -56.97 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 10.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -47.77 -57.02 6.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.42 -25.15 67.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.78 -53.85 34.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.51 -42.19 95.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.941 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.9 mt -74.25 -18.79 60.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 10.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.1 t -83.63 113.35 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 12.9 m-70 -75.1 102.45 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 10.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -21.25 19.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.14 90.63 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.58 1.175 . . . . 10.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -49.99 139.4 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 0.713 . . . . 10.0 109.373 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.63 162.6 14.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 10.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -143.67 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 10.0 111.061 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.645 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -84.2 125.51 32.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 10.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.0 79.55 1.19 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -174.36 -39.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 10.0 111.046 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.645 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 3.2 mp0 -78.42 104.61 9.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.531 0.783 . . . . 10.0 110.376 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -93.84 161.33 14.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 10.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.452 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 24.6 m-85 -115.25 171.82 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -145.35 150.24 36.23 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 10.0 110.362 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.2 p -145.22 128.9 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 10.0 109.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -100.19 136.65 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.626 1.204 . . . . 10.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 40.7 m-85 -115.25 99.57 7.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 10.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -85.44 -6.66 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 10.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -123.37 142.94 39.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.519 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.9 169.7 22.02 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.55 1.816 . . . . 10.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.8 174.76 13.9 Favored Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.602 1.189 . . . . 10.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 3.0 m -111.08 121.98 46.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 10.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.826 ' CE2' HG11 ' A' ' 48' ' ' VAL . 92.5 m-85 -103.22 160.39 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 94' ' ' LYS . 26.3 m -144.16 145.56 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 10.0 110.483 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 18.8 p90 -130.18 137.68 50.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 10.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 14.5 p90 -129.64 99.31 5.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 10.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 t -43.15 108.49 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.6 1.187 . . . . 10.0 108.229 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' HG3' ' CE2' ' A' ' 82' ' ' TYR . 1.7 mt-10 -71.55 -55.62 5.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.93 62.26 5.76 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.544 1.813 . . . . 10.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.68 -60.16 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 10.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.43 111.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.36 -56.05 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 10.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' MET . . . -154.36 75.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 10.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . -37.36 97.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 10.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.506 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 24.3 mtt -38.23 125.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 10.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 93' ' ' GLY . 2.1 p -83.04 -149.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.793 ' N ' HG13 ' A' ' 92' ' ' VAL . . . 100.6 132.76 7.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.392 1.057 . . . . 10.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 80' ' ' THR . 1.9 pttm -144.19 148.61 35.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 10.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' THR . 1.6 t -105.62 151.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.6 t -124.42 126.4 71.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.691 HG22 ' CG2' ' A' ' 23' ' ' ILE . 15.7 t -107.55 116.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.498 1.124 . . . . 10.0 109.405 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -75.19 143.78 43.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -109.29 113.44 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 t -119.29 160.65 21.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 10.0 110.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 16' ' ' PHE . 54.3 t -142.22 138.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 2.1 pttt -84.79 107.45 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 mtt -40.48 110.58 0.16 Allowed 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.44 1.088 . . . . 10.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LYS . . . 80.24 167.66 36.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 10.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -83.67 150.1 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.6 -56.19 12.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.88 -55.29 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 10.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.31 86.41 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.44 -171.52 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 10.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 HD22 ' CE1' ' A' ' 86' ' ' HIS . 2.4 mt -91.85 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -42.35 123.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.735 ' CD1' HG11 ' A' ' 5' ' ' VAL . 5.1 p90 -86.81 137.15 32.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 10.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.0 mt-10 -121.26 141.08 32.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 10.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.6 Cg_endo -74.91 131.92 25.78 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.977 -2.51 . . . . 10.0 111.078 -0.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 87.6 p -52.36 -46.47 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.3 m -115.88 130.06 56.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.694 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.9 t -128.33 169.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.422 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -115.36 140.15 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 110.411 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.706 HD12 HG23 ' A' ' 29' ' ' VAL . 7.9 tt -144.75 160.62 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -93.13 176.76 6.29 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.451 1.094 . . . . 10.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.07 96.75 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 10.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.94 -10.87 5.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 10.0 111.06 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -78.97 -179.41 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 10.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -127.83 163.48 24.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 10.0 110.26 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.706 HG23 HD12 ' A' ' 23' ' ' ILE . 12.2 t -124.0 157.54 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 10.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -131.46 130.06 41.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -120.71 99.34 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 10.0 107.998 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 p -92.89 144.11 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 10.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.11 127.31 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -100.7 -67.53 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 10.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.88 -170.06 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.86 62.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 9.8 p -86.12 152.65 56.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.1 -172.12 10.35 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.027 -2.489 . . . . 10.0 110.938 0.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.774 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -157.89 93.73 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 109.604 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -93.88 162.93 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 81' ' ' TYR . 3.6 mt -146.45 66.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 7.3 t -79.91 130.39 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.7 m-85 -101.71 138.58 38.5 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.374 1.046 . . . . 10.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.18 157.35 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.14 78.18 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 109.383 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -107.79 103.64 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 10.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.88 -40.62 3.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 10.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 49' ' ' ASP . 21.3 t -82.42 165.2 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 0.723 . . . . 10.0 109.251 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -62.67 167.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 10.0 109.379 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.54 -51.98 6.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.07 . . . . 10.0 109.232 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.82 -38.74 56.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 10.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 m -67.17 -59.23 3.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 10.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.74 -30.57 23.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 10.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -75.75 -25.03 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.848 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -96.0 0.23 51.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 10.0 109.37 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 t -94.84 130.83 41.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 3.6 m170 -108.76 99.77 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 109.584 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -40.11 -30.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 10.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' HIS . . . 108.35 -140.8 15.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 10.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.2 41.31 0.3 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 0.775 . . . . 10.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -108.51 107.98 18.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 10.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -139.59 -44.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 116.72 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 10.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.67 163.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 10.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.41 -40.71 3.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 10.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -84.51 103.14 13.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 0.751 . . . . 10.0 110.274 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.6 p -115.7 172.04 7.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 10.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -120.9 169.72 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 10.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' VAL . 85.5 m -145.74 149.44 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.2 p -145.78 141.34 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 10.0 110.039 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.2 m -99.98 130.48 46.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.932 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.4 m-30 -100.2 99.03 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 10.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -51.91 5.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 10.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.28 120.82 83.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.04 72.98 4.49 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.537 1.809 . . . . 10.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.52 5.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 10.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -136.3 108.46 7.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 10.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.848 ' CE2' HD13 ' A' ' 56' ' ' LEU . 67.7 m-85 -90.35 148.96 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -138.03 148.25 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 10.0 110.41 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.53 ' HE2' HG23 ' A' ' 95' ' ' VAL . 20.0 p90 -151.92 169.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 10.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 42' ' ' VAL . 4.1 p90 -136.27 167.04 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 10.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -108.3 45.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 108.305 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER 52.58 173.59 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.313 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 58.95 5.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.589 1.836 . . . . 10.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.456 ' CE1' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.07 138.54 31.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 10.0 109.57 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.51 -58.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 10.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 116.44 56.63 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 10.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.16 -46.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 10.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.41 58.71 1.92 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 10.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.456 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 22.8 ptm -43.16 150.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 10.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.56 -165.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 10.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.53 126.45 4.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 10.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -145.31 179.39 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 81' ' ' TYR . 5.6 t -119.36 159.23 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.57 116.42 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 10.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.932 HG22 ' CD2' ' A' ' 73' ' ' PHE . 3.8 t -78.32 149.71 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 10.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 7.8 t70 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 10.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -87.32 155.33 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -81.22 155.22 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -146.64 164.89 31.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 10.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 21' ' ' VAL . 38.3 t -145.45 153.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -109.48 126.13 53.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.487 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 9.2 mtt -67.99 96.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.97 171.91 32.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 10.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -77.35 173.05 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 10.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -5.38 59.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 10.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -102.19 -55.58 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.949 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.97 72.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 10.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -131.47 -179.31 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 10.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.86 -61.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 10.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -43.15 138.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 7' ' ' MET . 4.8 m-30 -86.51 149.15 25.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 10.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.8 tm-20 -139.44 129.84 14.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 132.8 28.78 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 121.04 -2.484 . . . . 10.0 110.975 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.411 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.4 p -51.01 -53.42 33.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 109.935 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -105.96 141.49 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 10.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 5' ' ' VAL . 33.1 m -145.21 141.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.69 140.64 29.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 10.0 110.332 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.807 ' CG2' HG22 ' A' ' 97' ' ' VAL . 2.2 tt -135.84 153.18 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 10.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 23' ' ' ILE . 4.7 mmtt -90.69 165.16 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 10.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 120.27 18.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.13 -20.73 35.01 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.546 1.154 . . . . 10.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.0 mt-10 -75.39 179.11 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.804 . . . . 10.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' OE1' HG21 ' A' ' 70' ' ' THR . 0.5 OUTLIER -133.74 178.41 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 10.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.5 t -128.49 133.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -105.22 121.41 43.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 10.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.741 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 19.0 m-90 -106.73 99.69 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 10.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -88.4 130.75 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -78.86 99.96 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 10.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -77.25 -63.17 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.586 1.179 . . . . 10.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -168.04 2.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 10.0 109.333 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.9 mm? 61.47 66.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 109.22 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 11.6 p -99.0 152.33 37.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 10.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.066 -2.472 . . . . 10.0 111.039 -0.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.82 132.21 7.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.517 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -127.67 121.75 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.726 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.4 mt -100.1 77.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.378 1.049 . . . . 10.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 43.4 t -83.89 146.98 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.726 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.4 m-85 -122.11 133.74 54.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 10.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.3 154.17 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.294 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.12 76.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.4 26.15 9.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 10.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -142.82 163.06 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 0.774 . . . . 10.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.14 175.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.06 -44.77 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -43.94 88.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -67.86 -52.96 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.433 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.57 -29.71 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 10.0 109.165 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.81 40.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 10.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.28 -50.69 72.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 10.0 109.379 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.179 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 4.9 mt -68.4 -14.27 62.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 10.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 7.2 t -87.94 103.85 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 10.0 110.026 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.2 m-70 -75.39 103.1 5.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 10.0 109.549 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -93.48 35.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.13 -167.36 14.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.45 120.72 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.78 126.46 34.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.96 -66.84 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -75.13 135.74 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.08 90.74 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 10.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.68 -33.02 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.58 1.175 . . . . 10.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -83.47 100.86 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 10.0 110.264 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.4 p -105.63 155.32 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.435 1.084 . . . . 10.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.2 m-85 -108.72 173.06 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 10.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.507 HG21 ' OE1' ' A' ' 28' ' ' GLU . 8.0 m -144.76 149.13 34.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 10.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.733 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.1 p -145.0 127.01 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 10.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -102.73 141.96 34.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 10.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.179 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 54.1 m-85 -120.07 99.38 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -0.78 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -135.9 133.08 19.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 10.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -75.03 151.03 38.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 10.0 111.007 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.25 -149.19 15.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 10.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m -145.16 102.28 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 10.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.745 ' CE2' HG11 ' A' ' 48' ' ' VAL . 87.7 m-85 -94.01 162.18 13.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.9 m -138.75 144.14 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 10.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 p90 -138.45 152.34 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 10.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 8.1 p90 -144.78 165.11 29.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 1.2 m -104.3 -177.55 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 108.368 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 3.0 mt-10 -171.5 -61.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 10.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.99 51.7 2.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 10.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -156.37 46.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 10.0 109.543 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.49 52.98 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.393 1.058 . . . . 10.0 110.191 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 168.63 -171.62 42.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.405 1.066 . . . . 10.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.54 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 10.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -37.55 128.06 1.37 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.148 . . . . 10.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.429 ' C ' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -176.95 57.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 0.79 . . . . 10.0 110.993 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' GLY . 91.3 t -42.78 -28.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 91' ' ' MET . . . -35.82 123.93 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 10.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -142.47 179.07 7.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 10.0 109.319 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.61 159.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.03 100.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.807 HG22 ' CG2' ' A' ' 23' ' ' ILE . 4.9 t -85.99 131.42 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 10.0 109.357 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -77.37 142.46 39.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -142.05 146.71 35.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -139.34 143.8 37.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 10.0 110.415 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG22 ' HD2' ' A' ' 18' ' ' PRO . 21.9 t -125.48 162.75 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 10.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -110.85 116.5 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 10.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.774 ' HG2' HD11 ' A' ' 41' ' ' ILE . 33.6 mtt -36.57 -63.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 10.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.37 158.91 15.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -78.91 165.35 23.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 10.0 109.965 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -39.6 -50.67 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -100.83 45.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 10.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 38.77 61.98 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 10.0 111.06 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -96.37 169.11 10.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 10.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.6 mm? -75.38 -172.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 10.0 109.309 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 14' ' ' LEU . 6.5 m 50.16 -179.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 10.0 109.389 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -130.4 152.36 49.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.97 137.17 20.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.552 1.157 . . . . 10.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.833 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 138.54 56.66 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.968 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -35.06 -52.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 10.0 110.065 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.6 m -125.44 149.02 48.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.833 HG12 ' HG2' ' A' ' 18' ' ' PRO . 19.6 m -134.46 164.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 10.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.5 139.31 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 10.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.941 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -143.88 151.97 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.885 ' H ' HD13 ' A' ' 23' ' ' ILE . 6.7 mmtt -109.23 163.93 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 10.0 109.374 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.51 87.48 3.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 10.0 109.367 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.15 -29.63 1.65 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.118 . . . . 10.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.85 -179.54 6.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 10.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -135.41 176.48 8.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 10.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.587 ' HB ' ' CH2' ' A' ' 31' ' ' TRP . 79.5 t -126.62 147.88 31.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -112.52 133.79 54.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 10.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CH2' ' HB ' ' A' ' 29' ' ' VAL . 21.6 m-90 -122.27 101.42 7.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.2 139.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 10.0 109.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.36 108.76 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.01 -76.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 10.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 179.34 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.99 63.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 28.4 p -86.76 151.5 52.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 10.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 -170.55 8.37 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.997 -2.501 . . . . 10.0 110.969 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.63 153.53 28.71 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 10.0 109.549 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.427 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 1.9 m120 -153.18 155.83 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 10.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.774 HD11 ' HG2' ' A' ' 7' ' ' MET . 20.3 mt -135.9 61.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.73 130.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 10.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.1 m-85 -97.02 144.99 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 10.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.45 131.95 44.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 10.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -107.55 85.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -69.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.11 4.07 82.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 10.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 79' ' ' TYR . 18.0 t -119.5 168.45 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.461 0.741 . . . . 10.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -69.72 142.35 53.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 10.0 109.226 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -69.08 -41.51 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.626 1.204 . . . . 10.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -58.86 -68.26 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.408 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -48.26 -39.54 21.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.325 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -71.78 -28.91 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 10.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -56.37 -57.55 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.086 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 10.6 mt -84.84 -7.07 59.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 10.2 p -90.68 122.36 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 14.7 m-70 -100.08 101.44 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.79 -26.47 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 10.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 40' ' ' ASN . . . 98.03 -135.62 12.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 10.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 79.44 41.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 10.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.74 117.97 35.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 54.8 m-85 -121.49 -56.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.387 1.054 . . . . 10.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 140.01 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 10.0 109.176 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.56 73.52 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.36 -41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.444 1.09 . . . . 10.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.32 104.25 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 10.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.3 p -105.98 159.02 16.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 16.1 m-85 -115.85 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 10.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 45.3 m -145.07 150.71 37.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 10.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.723 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.6 p -145.29 133.68 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.434 ' O ' HD21 ' A' ' 56' ' ' LEU . 1.5 m -107.64 142.38 37.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.086 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 52.2 m-85 -120.58 100.27 7.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.96 -29.47 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 13.1 mm-40 -102.86 143.58 26.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 10.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.3 Cg_endo -75.0 164.9 32.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 10.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.7 16.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 10.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' VAL . 32.0 m -112.79 137.18 51.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 10.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 48' ' ' VAL . 89.2 m-85 -119.84 163.69 17.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 10.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 m -142.58 141.61 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.325 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.636 ' CD2' HG23 ' A' ' 41' ' ' ILE . 34.6 p90 -142.84 161.52 37.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 10.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.464 ' HB2' ' HE1' ' A' ' 91' ' ' MET . 94.1 m -93.82 100.45 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 10.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 1.1 mt-10 -51.99 -56.2 23.79 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 10.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.5 1.79 . . . . 10.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 85' ' ' PRO . 4.7 t60 48.38 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 10.0 109.526 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.41 39.46 1.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 10.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.06 -104.66 0.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.154 . . . . 10.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -80.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 10.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.58 131.73 2.47 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.492 1.12 . . . . 10.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 83' ' ' CYS . 1.8 mtm -93.26 171.92 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 10.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.86 143.37 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.6 133.25 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 10.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -144.61 153.78 42.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 10.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 78' ' ' THR . 3.2 t -112.07 156.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 10.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 23' ' ' ILE . 66.9 t -129.55 117.56 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 10.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.941 HG22 ' CG2' ' A' ' 23' ' ' ILE . 21.2 t -100.79 101.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.179 . . . . 10.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -143.95 163.45 33.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 10.0 109.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -111.67 129.47 56.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 10.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 t -119.47 150.2 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 10.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.613 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.6 t -137.68 112.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.78 114.83 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.468 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 30.6 mtt -57.47 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 10.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' HB1' ' A' ' 13' ' ' ALA . . . 86.39 176.91 49.69 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.473 1.108 . . . . 10.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.396 0.704 . . . . 10.0 109.961 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 t70 -39.31 -42.12 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.774 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -37.87 -36.2 0.3 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.537 1.148 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . 68.1 118.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 10.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.3 tp -145.1 -61.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 16' ' ' PHE . 3.1 m -70.02 -157.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 6.1 p90 -145.14 129.52 17.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 10.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 13.0 tt0 -144.43 135.12 12.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 10.0 110.308 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.613 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.99 148.37 91.59 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.029 0.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 12.2 p -43.8 -42.83 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.945 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.7 m -138.6 162.81 33.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 10.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.691 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -142.01 137.6 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 10.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.46 129.25 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 10.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.676 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -126.21 162.05 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 10.0 109.272 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' H ' HD13 ' A' ' 23' ' ' ILE . 14.9 mttt -108.52 150.89 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 10.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 96.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 10.0 109.38 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.11 -23.11 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 23' ' ' ILE . 51.5 mm-40 -74.67 -179.68 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.392 0.701 . . . . 10.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -134.12 168.46 18.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 10.0 110.25 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.676 HG23 HG13 ' A' ' 23' ' ' ILE . 2.4 t -127.19 145.66 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 10.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 117.84 33.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.445 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 13.7 m-90 -101.65 100.09 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.01 145.68 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 10.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -86.97 101.0 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -66.76 -67.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -171.57 177.27 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 10.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 79.37 49.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 10.0 109.379 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 19.1 p -64.87 151.91 91.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 17.9 Cg_endo -75.06 -167.34 5.58 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.928 -2.53 . . . . 10.0 110.96 0.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.27 112.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 109.536 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 44.0 t30 -122.59 150.61 42.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.454 1.096 . . . . 10.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -125.84 78.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 13.3 t -83.6 132.86 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 4.4 m-85 -110.03 142.81 40.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 10.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 147.52 27.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 10.0 109.379 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 73.27 10.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.63 1.207 . . . . 10.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.15 100.31 11.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 10.0 109.225 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.38 -37.93 3.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 10.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.7 t -85.33 166.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 10.0 109.264 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.61 157.41 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 10.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.31 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.62 1.2 . . . . 10.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.806 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.71 -44.7 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -56.23 -52.57 63.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 10.0 110.43 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.44 -13.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.05 -60.68 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 10.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' HD23 ' A' ' 56' ' ' LEU . 3.9 ptpt -60.23 -38.08 82.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.27 -27.77 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -74.77 130.2 39.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 10.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 85.7 m-70 -105.41 101.0 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.345 1.028 . . . . 10.0 109.544 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.57 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.23 -31.45 5.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 10.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.96 124.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 10.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . . . -116.85 160.76 20.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 10.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -158.78 -44.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -77.73 107.59 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.216 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.36 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 10.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 164.74 -45.41 0.3 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.15 113.32 12.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.68 134.15 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 2.1 m-85 -89.22 177.55 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 10.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 m -145.22 145.26 31.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 10.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.478 ' HB2' HD22 ' A' ' 56' ' ' LEU . 1.4 p -139.19 134.2 32.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 10.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.535 ' O ' HD21 ' A' ' 56' ' ' LEU . 47.4 m -102.55 128.86 49.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.543 1.152 . . . . 10.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.4 m-85 -95.33 97.95 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 10.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -38.88 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 10.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.01 124.52 61.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 10.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.454 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.95 85.35 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 10.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.3 -148.09 5.1 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.626 1.204 . . . . 10.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -134.04 99.49 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 10.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 69.6 m-85 -80.54 146.64 31.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 10.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -126.32 147.6 49.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 10.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' VAL . 3.7 p90 -151.16 154.77 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.173 . . . . 10.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 40.5 p90 -146.16 119.49 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 10.0 110.98 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -45.34 124.69 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 10.0 108.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.8 OUTLIER -56.87 -51.43 81.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 10.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 87' ' ' ARG . 28.6 m80 71.33 -73.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' HIS . 12.5 ttt180 39.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.603 1.189 . . . . 10.0 110.209 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.96 39.08 1.6 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.541 1.151 . . . . 10.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.71 -51.25 1.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.618 0.834 . . . . 10.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.57 47.17 0.54 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.59 1.181 . . . . 10.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.587 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 ttt -128.83 116.68 19.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 10.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 81' ' ' TYR . 13.4 m -132.17 -56.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.535 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 60.54 142.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 10.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -138.49 172.13 13.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 10.0 109.245 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.69 160.73 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.17 123.45 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.587 HG13 HG23 ' A' ' 23' ' ' ILE . 2.2 t -97.2 146.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -145.26 178.36 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 10.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.821 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -113.4 107.49 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t -112.52 158.24 20.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 110.451 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -142.47 132.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.624 ' HB2' HD21 ' A' ' 34' ' ' ASN . 10.6 ptpt -72.85 113.16 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.696 ' CE ' HD11 ' A' ' 41' ' ' ILE . 1.5 ttm -73.95 71.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 10.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.3 -174.29 15.59 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 10.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -85.58 169.18 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 0.721 . . . . 10.0 109.967 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.5 t70 -34.05 -47.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 10.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.23 89.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 10.0 110.07 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . . . 155.03 -68.04 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.142 . . . . 10.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.2 166.71 22.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.757 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.673 ' HB2' HD13 ' A' ' 36' ' ' LEU . 1.2 tt -119.57 88.52 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.88 154.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 10.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 91' ' ' MET . 3.2 p90 -126.05 100.87 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 10.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.6 mt-10 -138.4 142.63 35.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.02 133.54 31.88 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 10.0 111.037 0.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.443 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 5.1 t -43.63 -52.29 6.45 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.479 1.112 . . . . 10.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 m -115.27 141.36 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.349 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' HG2' ' A' ' 18' ' ' PRO . 33.2 m -133.25 168.06 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.202 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.92 128.97 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 29' ' ' VAL . 2.9 tt -126.43 154.9 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 10.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 23' ' ' ILE . 9.4 mmtt -86.49 164.85 16.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 10.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.47 73.64 7.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 10.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.47 -28.12 0.38 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 10.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' C ' HD11 ' A' ' 23' ' ' ILE . 31.4 mt-10 -74.96 -179.98 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 10.0 110.36 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CD ' HG23 ' A' ' 72' ' ' THR . 1.0 OUTLIER -130.69 178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 3' ' ' ALA . 17.4 t -125.79 141.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -113.08 117.03 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 10.0 109.249 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 11.0 m-90 -104.27 99.36 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 10.0 107.961 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 68' ' ' SER . 70.2 t -88.89 133.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 33' ' ' ASN . 20.7 t-20 -75.46 100.9 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.624 HD21 ' HB2' ' A' ' 6' ' ' LYS . 2.8 t-20 -62.28 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.86 -172.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 14' ' ' LEU . 16.2 mt 66.21 69.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.227 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -87.84 155.36 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 10.0 110.1 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 -168.72 6.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.951 -2.521 . . . . 10.0 111.018 0.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' HE1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -158.95 130.12 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 10.0 109.594 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.471 ' CB ' ' HA3' ' A' ' 60' ' ' GLY . 1.9 m120 -125.76 163.8 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 81' ' ' TYR . 5.8 mt -148.53 69.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 10.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 t -80.09 134.7 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.4 m-85 -106.55 142.73 35.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.88 156.75 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.23 79.27 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -99.97 76.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 10.0 109.243 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -21.43 36.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 10.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -98.02 157.37 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 151.58 22.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.39 -53.16 20.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.221 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -46.26 -58.45 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -52.11 -42.06 62.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -65.7 -30.61 71.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -70.21 -23.59 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.62 -22.63 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.153 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 5.8 mt -104.96 2.99 30.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 10.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.5 t -96.72 113.31 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.9 m170 -90.49 103.76 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -25.33 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.246 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 93.28 -147.85 18.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.119 . . . . 10.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER 87.32 39.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 10.0 109.328 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.95 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 10.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.17 -63.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.79 140.34 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.89 50.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 10.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.18 -41.57 0.1 OUTLIER Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.516 1.135 . . . . 10.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.35 112.22 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 10.0 110.223 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.5 p -108.71 145.36 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.939 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -94.89 173.86 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 10.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.0 m -145.19 145.09 31.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.849 ' HB2' HD23 ' A' ' 56' ' ' LEU . 3.3 p -145.3 129.46 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 10.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.458 HG23 ' CD ' ' A' ' 28' ' ' GLU . 1.9 m -101.2 137.14 39.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 110.386 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.153 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 43.3 m-85 -119.32 99.47 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -20.4 32.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 10.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' OE1' HG13 ' A' ' 48' ' ' VAL . 31.6 tt0 -107.54 134.22 20.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.88 15.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 10.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.3 157.14 9.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.607 1.192 . . . . 10.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 96' ' ' VAL . 1.6 m -89.26 125.5 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 0.837 . . . . 10.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.678 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 87.9 m-85 -109.14 158.3 17.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 10.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.7 m -136.94 148.09 46.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 41' ' ' ILE . 41.5 p90 -151.82 153.61 34.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.75 -150.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 8.8 t -163.53 37.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 10.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 54.48 167.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 110.251 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 61.69 5.65 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.594 1.839 . . . . 10.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -83.3 82.9 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 10.0 109.56 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.55 63.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.357 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 90.9 -82.82 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 10.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 168.13 -75.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 10.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . 37.44 43.74 1.11 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.495 1.122 . . . . 10.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.547 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -170.44 133.14 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 10.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.801 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -152.56 -83.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 10.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.801 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 65.54 152.19 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 10.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.44 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 10.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 96' ' ' VAL . 18.1 t -94.58 164.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG22 ' OG1' ' A' ' 78' ' ' THR . 40.4 t -142.65 107.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.634 1.209 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 73' ' ' PHE . 2.4 t -92.96 117.95 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 10.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -75.25 139.59 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 10.0 109.33 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -93.99 151.78 19.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.646 1.217 . . . . 10.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 t -143.81 148.56 35.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.611 1.194 . . . . 10.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.486 HG22 ' HD2' ' A' ' 18' ' ' PRO . 9.0 t -134.96 161.93 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 10.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -114.52 126.17 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.536 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.7 mpp? -71.25 73.75 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 10.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.18 154.84 9.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 10.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.759 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -74.64 156.02 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 10.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.79 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 10.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 m -39.12 -57.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 10.0 110.057 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.06 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.545 1.153 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -137.67 173.69 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 10.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.865 HD11 ' HA3' ' A' ' 88' ' ' GLY . 1.1 pp -127.04 83.84 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.53 -171.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 92' ' ' VAL . 2.1 p90 -134.07 108.66 8.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 10.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.62 139.45 33.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.148 . . . . 10.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.01 138.25 54.98 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 111.032 0.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PRO . 83.7 p -37.56 -42.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -128.84 131.77 47.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.924 HG12 ' HG2' ' A' ' 18' ' ' PRO . 18.6 m -123.0 151.5 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 10.0 109.343 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -102.3 143.07 32.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.325 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.963 HG23 HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.56 145.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 10.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' O ' HD13 ' A' ' 23' ' ' ILE . 21.2 mttt -87.88 163.1 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.36 113.76 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.79 -31.4 5.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -74.42 -179.46 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 10.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.87 173.15 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.771 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 23.1 t -119.67 152.5 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 10.0 109.239 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.41 125.94 49.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.771 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 25.3 m-90 -116.39 99.47 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 10.0 108.0 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.6 148.68 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 10.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -87.45 130.95 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.17 -80.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 10.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.648 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -161.24 -178.55 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 35' ' ' LYS . 6.2 mp 66.05 67.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -83.33 160.69 59.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.993 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.07 -174.55 14.35 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.979 -2.509 . . . . 10.0 110.99 0.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -161.13 95.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.674 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.576 ' OD1' HG23 ' A' ' 42' ' ' VAL . 10.8 p30 -104.57 151.41 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 10.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.722 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -118.5 71.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' OD1' ' A' ' 40' ' ' ASN . 95.8 t -82.61 130.92 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.722 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.3 m-85 -103.44 141.1 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.17 141.22 32.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.89 76.69 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.0 104.39 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.67 3.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.604 1.19 . . . . 10.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.8 t -78.85 165.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.26 165.43 2.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 10.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -81.18 -67.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -40.08 -51.74 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -50.91 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -46.22 -53.84 9.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 10.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.97 -52.26 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 10.0 109.285 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.52 -57.4 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.085 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 3.9 mt -63.7 -12.65 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.644 1.215 . . . . 10.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.1 p -81.52 122.49 27.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.937 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 27.8 m-70 -90.4 102.2 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 10.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.52 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.68 -29.62 5.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 10.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.07 118.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 0.757 . . . . 10.0 109.389 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 63' ' ' PHE . . . -87.11 174.66 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 10.0 109.386 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' ALA . 55.4 m-85 -164.14 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.61 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.05 85.49 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 10.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -32.53 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 10.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.46 99.93 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.809 . . . . 10.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.83 153.43 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -113.79 174.31 5.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 23.7 m -144.49 152.45 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 10.0 110.481 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.591 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.5 p -145.44 133.39 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 10.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 138.52 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.085 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 37.7 m-85 -119.04 98.86 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 10.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.97 -25.61 40.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -107.59 131.77 21.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 144.89 30.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 10.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.73 -171.43 36.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 10.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.1 m -115.4 123.95 49.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 10.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.714 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 91.2 m-85 -111.8 164.02 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' GLY . 51.9 m -135.92 150.51 49.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' A' ' 41' ' ' ILE . 14.8 p90 -152.32 163.01 40.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.58 177.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 91' ' ' MET . 41.9 m -97.59 137.23 36.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 10.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -76.83 -50.71 2.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 10.0 110.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -90.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.424 1.749 . . . . 10.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.911 ' CE1' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER 50.0 -173.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.602 1.189 . . . . 10.0 109.601 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -158.78 -42.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.865 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . -34.09 -91.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 10.0 111.02 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' GLY . . . -148.52 39.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . 32.8 86.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 10.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.911 ' HE1' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -76.33 155.2 34.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 10.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 4.7 m -152.42 125.83 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 10.0 109.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.493 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . -117.39 178.6 17.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -144.76 140.07 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 10.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.7 t -107.49 161.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 10.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 23' ' ' ILE . 77.8 t -132.58 120.82 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 10.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.963 HG13 HG23 ' A' ' 23' ' ' ILE . 1.8 t -115.02 134.69 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 10.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 10.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . 0.864 'CU ' ' CE1' ' A' ' 86' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -144.82 147.47 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 10.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -130.22 132.63 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.232 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -138.85 148.81 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.2 t -139.2 149.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 10.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -103.68 121.35 42.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 10.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.491 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.1 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 10.0 110.963 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.53 151.14 11.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 10.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -82.29 138.05 34.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 10.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -42.61 -56.23 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 10.0 109.371 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -59.73 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 10.0 110.048 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.68 62.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 10.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.88 167.41 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 0.813 . . . . 10.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.536 HD21 ' CG ' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -104.66 53.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.44 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 10.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.499 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 50.8 m-85 -76.51 115.21 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 10.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 5.8 tt0 -127.93 136.14 28.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 110.362 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 138.47 56.28 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.994 -0.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -53.13 -49.21 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 10.0 110.034 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -104.53 142.3 34.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 10.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 2.8 m -143.17 146.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.537 1.148 . . . . 10.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -82.48 142.62 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 10.0 110.32 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.895 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -144.79 157.44 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.835 ' H ' HD13 ' A' ' 23' ' ' ILE . 1.1 mmtp -110.77 159.26 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.24 96.49 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 10.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.48 -15.33 8.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.411 1.07 . . . . 10.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 1' ' ' ALA . 4.9 mp0 -74.8 -179.94 4.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 10.0 110.371 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 72' ' ' THR . 5.1 mt-10 -128.3 164.01 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 10.0 110.291 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 ' HB3' ' A' ' 3' ' ' ALA . 27.5 t -133.86 136.6 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 139.96 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 10.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.511 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 7.4 m-90 -123.1 99.76 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.5 t -86.4 136.48 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.07 139.46 36.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -111.29 -66.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.624 1.203 . . . . 10.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -161.46 -169.22 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 10.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.29 70.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 10.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 16.0 m -93.14 149.69 37.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 10.0 110.034 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.04 -166.45 4.9 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.964 0.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -156.38 118.65 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.609 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 5.9 m120 -121.11 142.27 50.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 10.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.0 mt -123.89 69.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.71 142.8 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.753 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -116.28 139.1 50.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.11 148.15 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.76 75.98 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.77 104.9 15.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.95 -41.99 3.13 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 49' ' ' ASP . 38.9 t -83.57 168.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 0.733 . . . . 10.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 48' ' ' VAL . 22.2 m-20 -62.67 170.97 2.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 109.364 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.32 -63.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 10.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.87 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 m-20 -45.39 -45.46 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -55.15 -64.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.418 1.074 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.66 -24.64 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.87 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.15 -62.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.402 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -56.95 -36.6 70.46 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.338 1.024 . . . . 10.0 109.274 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.18 -26.17 63.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 10.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 35.8 t -77.73 141.06 39.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 31.7 m-70 -105.26 99.67 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.172 . . . . 10.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -97.32 34.79 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.36 -130.8 6.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 10.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER 179.39 122.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 10.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.63 128.63 53.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -144.71 -45.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.352 1.032 . . . . 10.0 111.003 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 108.59 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 10.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.79 118.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.67 -40.08 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 10.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.23 104.79 5.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 0.745 . . . . 10.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.63 127.1 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 10.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 13.4 m-85 -88.78 176.94 6.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 10.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 59.5 m -144.87 159.02 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 10.0 110.353 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.541 ' OG ' HD13 ' A' ' 56' ' ' LEU . 6.1 t -144.8 147.14 32.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 10.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 28' ' ' GLU . 4.6 m -121.72 115.17 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -91.63 99.28 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.43 -27.32 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.36 126.7 35.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.458 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -74.99 87.61 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 10.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.88 -148.38 4.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 10.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.9 m -136.96 102.23 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 10.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.755 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 62.4 m-85 -83.56 147.45 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 10.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 m -123.36 143.81 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -144.34 149.48 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 10.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 20.3 p90 -153.74 121.36 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 10.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -42.48 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.288 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -38.69 -54.91 2.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.249 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 17.7 Cg_endo -75.03 -164.07 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 10.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' HD21 ' A' ' 14' ' ' LEU . 7.5 m-70 66.01 -74.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.574 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER 66.74 -70.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 10.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -37.43 -65.98 0.58 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 10.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 14' ' ' LEU . . . -41.74 -51.1 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 10.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.78 60.23 2.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.453 1.095 . . . . 10.0 111.033 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.499 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 5.0 mtt -64.75 118.01 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 10.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 93' ' ' GLY . 6.2 t -105.15 171.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 145.97 138.33 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 10.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -144.6 158.82 43.6 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.464 0.743 . . . . 10.0 109.238 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -108.66 158.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.18 122.42 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 10.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.6 t -105.41 135.41 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 10.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 10.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -75.42 157.39 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 10.0 109.342 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -88.24 152.51 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 t -145.8 157.41 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 10.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.57 ' CG2' HG11 ' A' ' 21' ' ' VAL . 34.5 t -145.49 144.84 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 10.0 109.223 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -96.26 127.18 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 10.0 109.272 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 1.025 ' SD ' HD11 ' A' ' 41' ' ' ILE . 18.9 mtm -64.66 90.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.59 -142.35 16.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 10.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.6 t -134.98 160.39 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 10.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -65.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -48.22 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.672 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . 123.13 56.72 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 10.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 178.18 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 10.0 109.29 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -75.13 -163.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 10.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.1 m 50.93 177.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 60.8 m-85 -125.82 141.37 52.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 10.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.73 130.45 18.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.94 135.54 40.97 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.038 -2.484 . . . . 10.0 111.055 -0.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 m -54.93 -51.78 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 10.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -108.84 138.84 44.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG11 ' CG2' ' A' ' 5' ' ' VAL . 20.5 m -142.09 145.71 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 10.0 109.335 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.91 138.68 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 10.0 110.41 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.912 HD12 HG23 ' A' ' 29' ' ' VAL . 8.3 tt -141.9 159.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.1 mmtt -95.95 161.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 10.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 87.01 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 10.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 144.3 -22.57 2.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 10.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.95 -178.53 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -129.52 173.84 10.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 110.309 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 23' ' ' ILE . 3.6 t -131.49 142.43 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 10.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -116.27 125.61 52.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.486 1.116 . . . . 10.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.3 m-90 -112.29 100.06 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.35 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 10.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.71 119.25 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' SER . 2.1 t-20 -85.23 -71.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.464 1.103 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.658 ' C ' HD23 ' A' ' 36' ' ' LEU . 16.0 tptt -167.2 -157.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 10.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD22 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 43.04 62.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 10.0 109.246 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.4 m -83.44 160.14 60.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.052 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.91 -172.56 10.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.032 -2.487 . . . . 10.0 110.992 -0.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.476 ' HE1' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -155.29 97.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 10.0 109.65 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.662 ' OD1' HD12 ' A' ' 61' ' ' LEU . 13.9 m-80 -93.47 146.22 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 10.0 109.38 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 1.025 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.68 81.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.01 147.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.85 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -125.31 131.51 53.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.38 160.21 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -120.73 75.83 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 10.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.72 -71.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 10.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.96 64.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.432 1.082 . . . . 10.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.09 154.05 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.491 0.759 . . . . 10.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.52 162.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.65 -46.15 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.633 1.208 . . . . 10.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -61.22 -45.67 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 m -61.21 -63.35 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 10.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -50.22 -38.0 38.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.098 . . . . 10.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -54.82 -51.88 64.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 10.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -53.77 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 73' ' ' PHE . 3.8 mp -64.55 -14.86 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 10.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 t -86.79 112.79 22.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 10.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.532 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 5.0 m80 -80.76 104.39 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 10.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 35.57 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.92 -145.07 13.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 10.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.662 HD12 ' OD1' ' A' ' 40' ' ' ASN . 8.8 tp -162.1 124.68 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.746 . . . . 10.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.96 157.44 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 10.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 35.3 m-85 -154.74 -46.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 141.39 31.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 10.0 109.359 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.19 -43.45 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.386 1.054 . . . . 10.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -76.89 145.65 38.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 10.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -145.5 143.52 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 110.017 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.532 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 32.9 m-85 -96.13 172.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 10.0 111.015 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 18.6 m -145.52 146.78 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 10.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.531 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.7 p -144.43 124.92 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 10.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.7 m -86.9 125.66 34.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.945 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -93.94 98.55 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 10.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -93.07 -49.95 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -71.72 120.46 80.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 10.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.547 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.01 61.03 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 10.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.19 -142.68 6.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -143.03 106.49 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 10.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CD2' HD22 ' A' ' 56' ' ' LEU . 53.1 m-85 -87.16 152.86 21.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 95.2 m -131.81 149.62 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 10.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -147.59 152.33 37.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 10.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.7 p90 -158.43 110.42 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 10.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.431 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 1.6 t -44.56 102.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 10.0 108.228 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.55 ' HG3' ' CE2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -76.96 -55.73 1.39 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 10.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.0 55.7 4.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 10.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -113.28 146.98 38.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 10.0 109.644 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -61.47 -117.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.433 1.083 . . . . 10.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 164.05 100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 0.829 . . . . 10.0 109.275 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.84 -94.59 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 10.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.616 ' HE3' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER 50.82 101.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 10.0 110.954 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.64 167.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.55 129.96 2.73 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.546 1.154 . . . . 10.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -143.98 170.61 15.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 10.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -124.88 158.17 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -135.53 114.9 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 10.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.945 HG22 ' CD2' ' A' ' 73' ' ' PHE . 11.8 t -74.39 152.87 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.0 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -135.95 149.04 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -100.6 136.22 40.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 10.2 t -132.54 146.36 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.501 HG22 ' HD2' ' A' ' 18' ' ' PRO . 5.0 t -136.77 138.2 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.2 pttp -82.64 52.81 2.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.661 ' HG2' HD11 ' A' ' 41' ' ' ILE . 24.8 mtt 37.2 -94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 10.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -70.71 -161.63 3.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 10.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -119.69 151.89 38.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 0.774 . . . . 10.0 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 10.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -41.91 -47.82 4.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 10.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.08 63.67 0.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.595 1.184 . . . . 10.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.83 139.41 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 10.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -75.2 76.57 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.782 HG13 ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -160.85 -163.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.782 ' N ' HG13 ' A' ' 15' ' ' VAL . 69.1 m-85 -137.85 135.69 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -136.06 136.23 22.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 10.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.862 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 137.25 49.28 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 10.0 111.046 -0.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' PRO . 3.2 m -35.27 -49.96 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 10.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -120.75 139.33 53.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 10.0 110.343 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.862 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.0 m -130.97 144.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.433 1.083 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.31 138.48 32.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 10.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.58 HD12 HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -145.87 152.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 10.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 1' ' ' ALA . 9.5 mttm -93.68 157.21 16.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.94 114.26 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.98 -11.3 37.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 10.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.21 -179.31 4.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 10.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' HG3' HG23 ' A' ' 72' ' ' THR . 3.2 mp0 -128.82 163.07 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 23' ' ' ILE . 2.3 t -123.18 157.85 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' THR . 2.6 ttpt -131.17 128.26 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.9 m-90 -116.71 99.56 7.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 10.0 107.984 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -84.23 144.0 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.419 HD22 ' HB1' ' A' ' 62' ' ' ALA . 49.8 t-20 -83.44 134.91 34.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -121.12 -68.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -154.99 -168.62 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 60.98 69.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.634 1.209 . . . . 10.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -132.73 162.06 59.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 10.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.0 173.54 57.39 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.996 -2.501 . . . . 10.0 110.998 -0.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 2.4 p80 -176.78 167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 46.9 p30 -140.97 168.6 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.0 mt -126.17 83.81 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 10.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 93.5 t -80.88 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -118.19 144.49 45.69 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 10.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.78 144.77 31.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 10.0 109.303 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.58 76.69 9.52 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 10.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -96.07 100.19 11.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 10.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -30.79 5.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 10.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' ASP . 25.7 t -94.21 163.45 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 10.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 48' ' ' VAL . 72.9 m-20 -58.75 164.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.52 -55.72 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.8 m-20 -46.95 -49.06 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -55.25 -62.32 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 10.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.74 -24.46 15.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -55.66 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -52.95 -43.12 66.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 10.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -74.68 114.45 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.9 m-70 -74.6 99.98 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 10.0 109.652 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.1 37.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 10.0 109.375 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.25 -146.73 7.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 10.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 63' ' ' PHE . 6.0 tp -172.79 124.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 10.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -104.7 144.31 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 40.1 m-85 -131.24 -58.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.73 130.31 38.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 10.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.73 90.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.47 -36.17 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.52 109.07 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 10.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.4 p -111.9 153.93 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 10.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 24.7 m-85 -104.69 172.72 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 84.9 m -145.29 154.31 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 110.432 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -141.15 174.8 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 10.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 28' ' ' GLU . 26.3 m -145.68 110.69 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 10.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.724 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.4 m-85 -89.5 98.73 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -60.62 2.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.401 1.063 . . . . 10.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.58 127.64 91.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.94 80.59 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 10.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.07 -146.66 5.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 10.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -137.15 117.67 13.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 0.808 . . . . 10.0 110.371 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 45.7 m-85 -97.04 160.0 14.59 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 10.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 94' ' ' LYS . 21.3 m -137.53 153.21 50.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 10.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 8.2 p90 -148.91 152.45 36.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 10.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -143.66 136.13 27.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 10.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 1.8 t -92.43 96.1 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.352 1.033 . . . . 10.0 108.311 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -73.36 -51.56 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 10.0 110.242 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 64.19 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -144.15 36.46 1.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 10.0 109.558 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLY . 4.4 ttt180 58.91 45.48 15.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 10.0 110.406 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' ARG . . . 37.25 91.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.648 1.217 . . . . 10.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.4 -55.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 10.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.34 -78.71 0.21 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 10.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.7 mtt 44.05 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 0.816 . . . . 10.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 93' ' ' GLY . 71.0 t -99.63 -95.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.298 0.999 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.82 135.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.586 1.179 . . . . 10.0 110.994 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 80' ' ' THR . 69.1 mttt -138.87 176.91 8.29 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.549 0.793 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 96' ' ' VAL . 58.2 t -123.12 165.91 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.502 ' N ' HG12 ' A' ' 95' ' ' VAL . 99.1 t -145.19 115.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 10.0 109.199 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.4 t -91.12 142.77 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 10.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.67 173.9 10.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -80.26 156.96 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -146.54 155.38 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 10.0 110.452 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.533 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.0 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 117.4 34.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.201 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -44.97 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 10.0 111.046 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.63 140.59 24.49 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.6 1.188 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.645 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.03 156.46 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 10.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.14 -39.15 81.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.72 40.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . 40.02 50.38 3.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 10.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -104.98 163.26 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 10.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD22 ' HE2' ' A' ' 91' ' ' MET . 18.6 mt -84.07 -59.76 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 109.225 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -41.16 128.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 10.0 109.225 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 72.1 m-85 -75.25 135.3 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 10.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.9 tt0 -134.21 131.69 20.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 10.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.03 132.41 27.47 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.006 -2.498 . . . . 10.0 110.97 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 79.4 p -51.39 -53.43 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 10.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -102.7 139.09 38.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 10.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG11 ' CG2' ' A' ' 5' ' ' VAL . 23.0 m -144.91 134.35 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 10.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -82.88 145.47 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.825 HD12 HG23 ' A' ' 29' ' ' VAL . 5.7 tt -145.79 158.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 10.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.45 161.53 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 10.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 104.31 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 10.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.24 -13.08 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 10.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.75 -179.35 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 0.702 . . . . 10.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -127.11 178.21 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 10.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.825 HG23 HD12 ' A' ' 23' ' ' ILE . 2.9 t -145.39 126.95 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -101.82 120.45 40.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.702 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 9.0 m-90 -103.99 99.78 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.3 t -91.42 143.57 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 10.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 119.42 32.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.63 1.206 . . . . 10.0 109.266 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -90.58 -62.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -172.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.6 mp 67.44 68.19 0.38 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.4 p -95.13 151.73 38.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.483 1.114 . . . . 10.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.94 -165.35 4.1 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 10.0 111.039 -0.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -165.93 121.8 1.3 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 10.0 109.623 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -122.1 137.88 54.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 10.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -109.88 69.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -81.36 140.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.8 m-85 -116.74 130.37 56.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.466 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -88.14 149.38 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -102.1 80.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -100.33 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.596 1.185 . . . . 10.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.56 9.37 64.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.2 t -129.78 162.99 36.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.565 0.803 . . . . 10.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.16 171.54 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.82 -53.4 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 10.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.28 -47.69 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -57.96 -53.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.06 -24.73 66.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 10.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.76 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.625 1.203 . . . . 10.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -48.64 70.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -62.39 -28.0 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.8 t -77.47 122.54 25.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 47.7 m-70 -93.49 101.29 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.684 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -40.42 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 10.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.67 170.85 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 10.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 38' ' ' PRO . 4.4 mt -119.62 138.1 53.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 0.715 . . . . 10.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -127.66 107.71 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -118.92 -40.74 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 10.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 120.72 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.91 168.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 10.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.86 -39.27 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.414 1.071 . . . . 10.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.35 113.33 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 10.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -135.51 139.26 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 15.9 m-85 -97.92 173.0 7.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.7 m -145.17 153.1 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 10.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.494 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 10.9 p -137.06 -179.79 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 10.0 110.008 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 28' ' ' GLU . 15.4 m -143.01 138.56 30.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 10.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.801 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -111.89 98.72 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 10.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -39.36 24.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.99 53.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.01 85.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.572 1.827 . . . . 10.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.45 -138.56 3.76 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.397 1.061 . . . . 10.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -143.82 107.37 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.807 ' CE2' HD13 ' A' ' 56' ' ' LEU . 32.6 m-85 -87.54 151.73 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 29.3 m -126.25 143.56 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 35.4 p90 -152.86 157.19 40.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.407 1.067 . . . . 10.0 111.052 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -160.13 177.95 10.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.469 1.105 . . . . 10.0 111.02 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.34 110.42 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.1 mt-10 -88.55 -58.51 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 10.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 10.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' CD2' ' HE1' ' A' ' 91' ' ' MET . 0.6 OUTLIER -33.86 123.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 10.0 109.624 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.52 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -45.68 118.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 1.054 . . . . 10.0 110.263 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.73 95.17 0.34 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.422 1.076 . . . . 10.0 110.978 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.28 -93.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 10.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.24 -126.76 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 10.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.6 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 25.9 mtt 57.2 161.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 10.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.461 HG13 ' C ' ' A' ' 91' ' ' MET . 35.9 m -155.71 125.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 10.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.66 135.16 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 10.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.89 161.65 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.71 153.0 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 10.0 109.308 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.61 112.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.608 1.193 . . . . 10.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 98' ' ' ASP . 2.9 t -80.33 177.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 10.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.687 ' H ' HG12 ' A' ' 97' ' ' VAL . 21.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -85.85 156.49 20.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 10.0 109.394 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -101.62 156.66 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 10.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -138.94 153.31 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.568 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.4 t -145.56 138.03 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -94.95 129.73 41.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.98 82.85 4.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 10.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.7 -155.42 16.24 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.486 1.116 . . . . 10.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -139.08 151.53 46.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 10.0 110.005 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.14 -59.0 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 10.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -63.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 10.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 88.81 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 10.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.06 150.43 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 0.722 . . . . 10.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 89' ' ' ALA . 2.5 mp -85.34 58.0 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.529 1.143 . . . . 10.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 m -136.49 166.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 10.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.602 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 29.1 m-85 -126.34 110.23 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.2 tt0 -127.18 128.36 24.12 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 10.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 141.48 71.91 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.073 -2.47 . . . . 10.0 110.966 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -44.45 43.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 10.0 109.959 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -113.91 133.56 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.21 167.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -99.2 150.77 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 110.456 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -145.5 143.92 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.771 ' N ' HD13 ' A' ' 23' ' ' ILE . 8.9 mmtt -88.28 140.12 29.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 10.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.34 99.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.58 -26.87 4.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.405 1.066 . . . . 10.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -178.73 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 0.761 . . . . 10.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -133.53 171.58 13.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.838 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -126.62 161.13 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -124.99 120.68 32.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 8.3 m-90 -106.72 99.81 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.93 -1.137 . . . . 10.0 107.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.6 143.27 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 10.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -85.76 122.74 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -91.7 -77.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.37 178.91 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD12 ' HE2' ' A' ' 86' ' ' HIS . 0.5 OUTLIER 72.52 70.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.38 1.05 . . . . 10.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 1.2 p -89.69 157.27 46.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 10.0 109.93 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.07 -169.57 7.49 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.987 -2.505 . . . . 10.0 110.963 0.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -156.71 92.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 10.0 109.616 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.62 138.14 32.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 10.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.836 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.4 mt -119.1 65.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 10.0 109.327 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.74 129.83 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 10.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.836 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.6 m-85 -102.63 143.18 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.7 146.36 26.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 10.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.9 75.02 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 10.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.68 100.04 10.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.76 -28.95 6.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG1' HG21 ' A' ' 52' ' ' THR . 16.4 t -90.97 168.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 10.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.65 170.1 6.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 10.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.22 -54.75 5.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 10.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.746 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -54.6 -38.01 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 10.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.517 HG21 ' CG1' ' A' ' 48' ' ' VAL . 2.9 m -61.54 -62.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.96 -22.31 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.76 -63.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -57.25 -44.04 83.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -63.8 -29.42 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 10.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.05 147.24 40.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 10.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.543 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 18.2 m80 -112.36 99.04 7.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.525 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -99.05 40.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.31 -132.53 6.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 10.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.94 130.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 10.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.43 151.61 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 10.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -160.1 -44.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.589 1.18 . . . . 10.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 119.23 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.71 91.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.39 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.89 -37.71 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 10.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.87 106.47 16.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 m -118.12 140.73 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 10.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.543 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 11.5 m-85 -94.31 169.37 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 10.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 29' ' ' VAL . 28.2 m -145.69 148.41 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 110.402 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 10.9 p -138.68 154.16 48.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 10.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.552 ' O ' HD21 ' A' ' 56' ' ' LEU . 4.0 m -121.32 119.49 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 10.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.9 m-85 -88.11 97.91 11.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -54.6 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 130.55 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 110.249 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.09 87.42 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.88 -143.59 4.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.58 1.175 . . . . 10.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -141.68 99.87 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.686 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.2 m-85 -83.3 147.57 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 10.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 87.3 m -132.8 148.9 52.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -144.96 153.43 41.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.604 1.19 . . . . 10.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -135.35 169.87 16.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 10.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.17 68.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.56 -51.89 63.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 10.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 65.12 6.13 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.422 1.749 . . . . 10.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.582 ' HE2' HD12 ' A' ' 36' ' ' LEU . 9.6 t-160 -172.37 62.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 10.0 109.651 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.42 84.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 10.0 110.285 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.87 101.25 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.401 1.063 . . . . 10.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.598 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -118.25 -70.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 10.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.13 84.46 0.06 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.553 1.158 . . . . 10.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 3.4 mtm -128.11 128.83 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 0.758 . . . . 10.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -132.16 -93.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.771 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 66.8 132.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 10.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.15 149.23 36.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.756 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.25 157.4 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.1 t -141.17 126.56 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 10.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -93.41 130.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 10.0 109.297 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -75.21 151.72 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -95.51 125.98 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 11.0 t -120.74 149.39 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 21' ' ' VAL . 89.5 t -134.81 141.86 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.13 134.62 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 10.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.622 ' SD ' HD11 ' A' ' 41' ' ' ILE . 4.2 mtm -71.89 75.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 10.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.57 -138.94 13.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 10.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.528 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -145.11 159.21 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.995 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -53.45 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 -53.19 9.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 10.0 109.968 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.58 58.69 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 10.0 111.018 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.2 42.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 10.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -75.75 60.58 1.31 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 10.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 14' ' ' LEU . 17.1 m -158.42 148.52 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 0.8 OUTLIER -114.79 132.63 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 10.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.0 mt-10 -137.37 139.95 29.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 10.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 132.46 27.64 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.938 -2.526 . . . . 10.0 111.027 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.46 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.8 p -63.08 -15.28 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 10.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -141.78 136.17 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 10.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.8 t -135.32 175.64 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.568 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -106.32 136.86 45.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -137.94 155.53 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 10.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.73 154.06 18.26 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.412 1.07 . . . . 10.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.91 101.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 10.0 109.37 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.24 -18.67 8.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.428 1.08 . . . . 10.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.03 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 0.746 . . . . 10.0 110.339 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.9 pm0 -129.99 177.39 7.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.1 t -133.24 155.77 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 10.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' THR . 5.5 ttmm -125.86 134.95 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 8.3 m-90 -124.04 99.65 6.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -87.35 143.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -74.94 133.32 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 9' ' ' SER . 4.5 t30 -107.52 -68.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -173.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 67.4 62.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 6.2 p -85.53 153.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.05 -168.09 6.2 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.002 -2.499 . . . . 10.0 111.073 -0.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.16 140.91 23.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.498 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.05 135.88 22.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' SD ' ' A' ' 7' ' ' MET . 2.3 mt -125.68 71.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 11.0 t -77.36 138.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -109.42 147.66 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.53 146.31 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 10.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.08 78.09 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -106.86 97.01 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.46 -25.64 12.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 10.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.706 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -96.39 152.85 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.59 155.76 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.497 1.123 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 -56.14 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 10.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -49.87 -40.39 42.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.583 1.177 . . . . 10.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 m -64.05 -67.61 0.42 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.423 1.077 . . . . 10.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -44.15 -38.68 3.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 10.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -50.2 -58.72 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.35 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mp -73.09 -4.94 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 10.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -91.73 133.45 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.042 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 12.4 m-70 -112.66 99.65 8.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 109.585 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -43.7 -32.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.01 131.47 7.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 10.0 111.01 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -179.99 41.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 10.0 109.225 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.33 110.73 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 55.8 m-85 -122.52 -64.26 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 10.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.93 141.89 34.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 10.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.72 86.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 10.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.74 -39.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.2 mt-10 -80.0 100.71 8.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.8 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 p -109.34 151.56 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 10.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.462 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.2 m-85 -104.52 172.25 6.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.8 m -143.76 154.22 43.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.4 t -145.42 148.74 33.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 10.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.2 m -123.2 127.78 49.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 10.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.727 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -104.5 99.06 8.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -36.76 29.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.378 1.049 . . . . 10.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.29 125.61 55.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.442 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.1 85.85 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.471 1.774 . . . . 10.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.69 -149.49 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.453 1.095 . . . . 10.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.65 0.853 . . . . 10.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.727 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 50.3 m-85 -82.16 159.14 23.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 10.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.5 m -121.68 151.07 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 10.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 1.8 p90 -168.61 157.44 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 10.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -173.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 10.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.8 92.88 4.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.42 -56.22 6.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 10.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' CG ' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -140.48 136.93 33.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 10.0 109.667 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -39.13 107.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 10.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' ARG . . . -37.25 96.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.435 1.084 . . . . 10.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . -128.68 -56.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 10.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.64 110.14 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 10.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.545 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 7.1 mtm -152.03 90.66 1.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 10.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -116.83 124.85 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.92 142.11 10.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 10.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -143.22 145.44 32.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 96' ' ' VAL . 21.3 t -98.82 165.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 10.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.443 ' N ' HG12 ' A' ' 95' ' ' VAL . 61.1 t -143.4 121.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.668 HG13 HG23 ' A' ' 23' ' ' ILE . 2.5 t -97.19 154.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . 16.9 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 10.0 109.369 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -134.32 172.01 13.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 10.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.928 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -111.73 105.2 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 10.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.3 t -98.45 162.65 13.05 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.439 1.087 . . . . 10.0 110.351 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 10.5 t -145.71 161.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 10.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 mttm -114.38 118.33 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.842 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.28 77.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.83 -152.6 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.044 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 2.7 t -133.68 163.88 28.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 10.0 110.062 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.7 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 10.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -61.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 10.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.68 69.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 10.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -118.48 160.52 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 0.78 . . . . 10.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.55 -54.44 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 10.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -46.69 121.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 10.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 5.1 m-85 -74.91 143.51 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -140.19 133.77 15.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 10.0 110.206 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 133.8 33.07 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.047 -2.481 . . . . 10.0 110.98 -0.051 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.418 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 28.7 p -51.39 -52.02 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.5 m -105.96 133.61 50.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 10.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG12 ' HG2' ' A' ' 18' ' ' PRO . 13.8 m -140.27 145.1 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.727 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m -82.86 150.6 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 10.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.975 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.15 136.97 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 10.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.703 ' N ' HD13 ' A' ' 23' ' ' ILE . 12.0 mmtp -78.13 145.37 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.78 99.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.42 4.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.165 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.05 -179.06 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 10.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -125.47 175.36 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.5 t -123.76 161.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 10.0 109.307 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -133.47 113.58 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.51 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 12.3 m-90 -101.39 99.41 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 10.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 134.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 10.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -90.67 131.27 36.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 10.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 9' ' ' SER . 6.3 p-10 -106.12 -51.29 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.48 1.113 . . . . 10.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -164.29 -174.81 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.366 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.7 mm? 67.66 69.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.207 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 54.9 p -95.56 150.55 37.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 10.0 109.957 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.06 -171.18 9.04 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.935 0.011 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -150.45 79.04 1.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 10.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.433 ' ND2' HD13 ' A' ' 61' ' ' LEU . 6.4 t-20 -85.74 139.28 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' CE ' ' A' ' 7' ' ' MET . 2.6 mt -121.51 72.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 10.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 93.9 t -80.13 143.06 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 10.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.825 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -118.19 130.39 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 10.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.13 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.96 80.57 2.75 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.541 1.151 . . . . 10.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.74 -72.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 10.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.1 13.28 67.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.092 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.786 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.5 t -135.48 163.32 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 10.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -68.87 175.4 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 10.0 109.225 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.64 -61.1 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.82 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -42.8 -55.91 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 10.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 79' ' ' TYR . 21.2 m -54.86 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.85 -55.89 14.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 10.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.87 -28.83 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 10.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.591 1.182 . . . . 10.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.9 t -78.23 139.59 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 10.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.2 m-70 -108.43 99.65 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -102.43 25.78 8.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 10.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.87 -30.78 8.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 10.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' ND2' ' A' ' 40' ' ' ASN . 37.9 tp 63.79 122.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 10.0 109.232 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.727 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -104.35 157.8 16.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -158.76 -47.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.64 112.57 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 10.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 149.29 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.9 -37.76 3.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 10.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.29 128.4 35.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 10.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.59 133.11 37.96 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.153 . . . . 10.0 110.081 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.727 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 9.6 m-85 -90.66 178.02 6.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' VAL . 43.6 m -145.35 151.11 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 10.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.56 ' OG ' HD13 ' A' ' 56' ' ' LEU . 9.3 t -142.36 145.08 33.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' HD21 ' A' ' 56' ' ' LEU . 17.7 m -115.0 123.96 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 10.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.745 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -101.35 98.72 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 10.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -38.88 25.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 10.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.12 125.73 47.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 10.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.492 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 94.84 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 10.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.31 -137.36 3.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.577 1.173 . . . . 10.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -145.2 99.77 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 10.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.786 ' CE2' HG11 ' A' ' 48' ' ' VAL . 77.4 m-85 -86.02 137.45 32.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 10.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -117.04 147.75 42.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 54.0 p90 -151.36 153.28 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 10.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 4.2 p90 -145.8 155.45 42.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -94.51 111.31 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 10.0 108.305 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -82.37 -58.11 0.46 Allowed Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.577 1.173 . . . . 10.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.99 71.01 5.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 10.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -124.22 167.22 14.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 10.0 109.653 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -40.07 -55.07 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 110.236 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.14 65.0 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.66 -78.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 132.6 3.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.524 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 1.4 ptp -125.57 166.27 17.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 0.743 . . . . 10.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.67 176.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.46 125.72 2.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 10.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -145.28 167.35 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 10.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.66 153.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.8 t -135.74 119.46 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 10.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.975 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.4 t -106.63 138.23 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 10.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -79.41 148.5 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 10.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -137.12 138.02 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.39 155.45 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.065 . . . . 10.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.869 HG12 ' H ' ' A' ' 7' ' ' MET . 96.2 t -138.56 140.94 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -87.58 15.43 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.869 ' H ' HG12 ' A' ' 5' ' ' VAL . 23.7 mtt 64.72 -70.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -96.44 -130.94 6.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 164.18 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 10.0 109.973 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -51.6 69.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.396 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -54.39 -58.52 7.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.29 92.27 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 10.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -157.02 153.87 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 10.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.076 HD22 ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -75.53 56.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 7' ' ' MET . 15.9 m -116.38 179.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -146.2 115.95 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 10.0 111.025 -179.926 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.6 mt-10 -145.34 135.55 11.9 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 10.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.735 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.97 137.44 50.35 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.982 -2.507 . . . . 10.0 110.96 -0.007 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -53.44 -38.43 63.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 10.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -123.79 135.88 54.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 10.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.839 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 25.4 m -128.43 149.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -96.4 137.21 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 10.0 110.381 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.875 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.25 156.6 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.784 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.75 157.42 17.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 10.0 109.282 -179.874 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 82.68 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.6 -29.88 0.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 10.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -178.16 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 10.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.78 169.79 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.675 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.0 t -115.91 161.78 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -131.58 120.54 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.736 ' HB3' ' HE2' ' A' ' 7' ' ' MET . 20.5 m-90 -110.88 98.54 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.118 . . . . 10.0 108.053 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' OG ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -82.68 139.61 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 10.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 62' ' ' ALA . 24.0 m-20 -78.4 100.69 6.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -81.08 -66.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 10.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.98 -156.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER 57.77 70.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.563 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -117.83 163.12 25.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 10.0 110.114 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.06 167.99 78.79 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.999 0.036 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -178.63 140.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.59 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -127.67 176.19 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.4 mt -129.51 75.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 10.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 18.2 t -80.28 135.47 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 10.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.2 m-85 -106.85 143.41 34.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.26 142.82 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.38 79.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 10.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -102.28 101.35 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.42 -28.45 7.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 79' ' ' TYR . 2.1 t -88.4 170.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.777 . . . . 10.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.68 147.35 39.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 1.162 . . . . 10.0 109.36 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -65.82 -59.02 4.29 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.526 1.141 . . . . 10.0 109.299 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -39.83 -63.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -47.99 -56.74 6.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 10.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.95 -23.86 34.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.43 -34.28 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -10.18 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.117 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 7.2 mt -110.69 -6.36 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.5 t -94.07 113.91 25.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 10.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.69 105.43 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 10.0 109.632 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -41.03 75.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 10.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.486 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 147.92 -143.1 10.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD23 ' HE1' ' A' ' 63' ' ' PHE . 0.4 OUTLIER 82.87 30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.272 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -117.72 115.51 25.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 10.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HE1' HD23 ' A' ' 61' ' ' LEU . 26.3 p90 -164.02 -41.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.75 104.94 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.58 112.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 10.0 109.38 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.52 -51.75 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 10.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 48.2 mt-10 -74.87 105.71 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 10.0 110.215 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.719 ' OG ' HG23 ' A' ' 32' ' ' VAL . 4.6 m -108.12 143.0 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 10.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.639 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 15.7 m-85 -97.71 169.3 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.9 m -145.52 146.59 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 10.0 110.425 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.8 p -145.57 126.63 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 10.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -105.34 135.44 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.317 1.01 . . . . 10.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 53.9 m-85 -113.64 99.55 7.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 10.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -88.31 -4.21 58.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 10.0 110.329 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 17.8 tp10 -117.81 135.16 23.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.1 Cg_endo -75.08 136.19 19.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 10.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.71 -176.55 35.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.423 1.077 . . . . 10.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.4 m -117.32 128.65 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 10.0 110.461 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 80.2 m-85 -109.93 162.79 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.5 m -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.408 1.068 . . . . 10.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 37.5 p90 -135.62 134.31 39.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -118.49 132.12 56.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.599 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 7.2 t -103.08 85.48 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 10.0 108.278 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.6 mm-40 -81.2 -57.25 0.57 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 10.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 76.51 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 10.0 111.031 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.794 ' NE2' HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -167.94 56.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 10.0 109.649 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 83.72 -60.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 10.0 110.341 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.66 123.01 5.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.08 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.076 ' HB3' HD22 ' A' ' 14' ' ' LEU . . . -165.76 -44.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 10.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.74 78.34 0.09 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 ttt -126.21 124.1 39.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 10.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.649 HG22 ' CZ ' ' A' ' 16' ' ' PHE . 11.5 m -141.26 -153.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 10.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . 149.41 148.0 4.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' TYR . 3.6 pttt -137.12 144.97 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 10.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 21' ' ' VAL . 3.4 t -114.04 157.37 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 10.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.614 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.3 t -128.97 126.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -117.09 120.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 -179.984 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -144.19 179.1 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 10.0 109.362 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.03 104.26 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 10.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -116.65 153.8 31.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 10.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' CG2' HG21 ' A' ' 21' ' ' VAL . 94.2 t -143.53 102.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE3' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -59.28 145.49 42.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 10.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.412 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 9.3 mtt -81.21 77.15 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -135.38 9.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 10.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.849 ' OG ' ' HB3' ' A' ' 13' ' ' ALA . 5.7 m -145.27 151.2 37.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 0.8 . . . . 10.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -51.2 56.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 10.0 109.25 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -62.35 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 10.0 109.96 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.4 69.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB3' ' OG ' ' A' ' 9' ' ' SER . . . -121.09 143.97 48.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 10.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.97 7.51 20.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 10.0 109.249 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG22 ' HB1' ' A' ' 13' ' ' ALA . 28.7 m -93.35 139.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CD2' ' CG ' ' A' ' 91' ' ' MET . 14.2 m-85 -79.22 108.11 12.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.6 tt0 -117.84 132.09 23.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 10.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HG2' HG13 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 168.42 77.48 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 p -84.95 -33.47 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -127.3 132.75 50.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.704 HG13 ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -135.35 140.21 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.21 -179.905 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.33 127.04 37.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 10.0 110.436 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.915 ' CG2' HG22 ' A' ' 97' ' ' VAL . 4.6 tt -127.91 156.56 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -99.81 165.56 11.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 10.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 79.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.58 -21.06 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.417 1.073 . . . . 10.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 4.8 mm-40 -74.64 168.87 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 0.723 . . . . 10.0 110.269 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.78 ' CG ' HG23 ' A' ' 72' ' ' THR . 2.7 mt-10 -121.77 158.01 29.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 10.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD12 ' A' ' 23' ' ' ILE . 8.5 t -112.89 160.0 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.395 1.06 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 3.9 ttpt -139.77 112.6 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.4 m-90 -100.31 99.74 10.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 10.0 108.048 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -90.68 132.58 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.085 . . . . 10.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -79.82 101.31 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' SER . 31.4 t30 -74.44 -41.01 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 10.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 172.51 -163.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 66.23 59.5 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 10.0 109.213 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.07 151.25 51.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.412 1.07 . . . . 10.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.93 -166.54 4.94 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.025 -2.49 . . . . 10.0 111.024 -0.065 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -157.67 155.78 30.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 10.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 39' ' ' HIS . 11.6 m-80 -158.32 137.32 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 10.0 109.388 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.696 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -119.21 71.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.7 t -82.86 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.696 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.2 m-85 -108.38 131.85 54.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.77 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -106.08 80.78 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 10.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.1 -68.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 10.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.29 16.54 60.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.09 . . . . 10.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 79' ' ' TYR . 16.5 t -139.08 169.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.549 0.793 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -67.12 155.79 37.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 10.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -80.69 -50.61 9.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -48.31 -64.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 10.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 56' ' ' LEU . 12.2 m -51.34 -41.06 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 10.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -67.39 -23.63 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -72.19 -26.8 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 10.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -14.41 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.168 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.2 mt -106.58 -9.56 16.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 10.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 15.8 t -89.94 114.97 26.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 10.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 20.2 m-70 -89.99 103.29 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 10.0 109.522 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.2 35.62 2.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -99.78 -142.55 13.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 10.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -164.37 119.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 10.0 109.328 179.901 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.78 128.12 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 10.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 22.9 p90 -141.81 -46.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . . . -74.79 111.82 10.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' ALA . . . -40.4 138.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.5 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 10.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.27 111.76 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 10.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.4 p -135.9 162.49 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 10.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.454 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 26.5 m-85 -123.72 173.21 8.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 10.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' VAL . 45.0 m -137.31 149.47 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 10.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.877 ' HB2' HD23 ' A' ' 56' ' ' LEU . 7.6 p -145.92 126.67 14.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 10.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.78 HG23 ' CG ' ' A' ' 28' ' ' GLU . 1.3 m -100.65 147.91 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 10.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 1.168 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 58.7 m-85 -129.88 99.19 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.19 . . . . 10.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -13.26 51.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.26 140.0 26.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 10.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 147.65 34.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 10.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.19 172.36 25.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 10.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -110.03 107.56 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.835 ' CE2' HG11 ' A' ' 48' ' ' VAL . 93.5 m-85 -93.82 154.3 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 94' ' ' LYS . 96.6 m -131.25 154.19 48.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 10.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 52.8 p90 -150.48 143.27 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 10.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -123.42 -176.8 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 10.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -128.8 129.02 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 108.316 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -77.57 -52.55 1.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.93 60.92 5.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 10.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -158.27 109.31 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.077 . . . . 10.0 109.578 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -40.11 -47.79 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.12 70.95 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 10.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.79 22.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 10.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.91 59.39 0.07 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 10.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.557 ' CG ' ' CD2' ' A' ' 16' ' ' PHE . 4.0 ttt -126.17 123.89 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 10.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.6 t -149.54 -81.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 70.89 125.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 10.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -125.35 146.49 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 10.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 96' ' ' VAL . 35.8 t -100.87 165.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.46 ' N ' HG12 ' A' ' 95' ' ' VAL . 47.1 t -144.38 112.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.915 HG22 ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -93.72 135.73 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.29 179.984 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.5 p-10 -143.1 178.07 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.237 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.774 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -144.86 105.9 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 10.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -116.88 148.25 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.72 117.07 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 10.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -69.92 86.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.47 83.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 10.0 110.966 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 130.1 112.14 1.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 10.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 52.6 m -75.34 139.99 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 0.718 . . . . 10.0 110.0 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -43.18 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -32.18 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 10.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.26 46.82 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 10.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.71 141.46 37.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 10.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.86 HD12 ' CD2' ' A' ' 86' ' ' HIS . 4.4 mm? -75.17 -28.82 60.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -76.48 168.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 10.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -118.85 155.9 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 10.0 110.999 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -145.66 129.11 8.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.11 157.62 99.39 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.938 -2.526 . . . . 10.0 110.925 0.101 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -74.62 -32.88 62.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -127.34 140.87 51.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 10.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.4 m -137.6 138.99 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.75 128.18 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.485 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -123.07 172.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' C ' HG13 ' A' ' 97' ' ' VAL . 1.7 mttt -112.9 162.21 16.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 109.208 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 74' ' ' THR . . . -80.89 76.9 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 10.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.95 -18.74 1.41 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.147 . . . . 10.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -74.99 176.96 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 0.777 . . . . 10.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 72' ' ' THR . 2.2 mt-10 -124.59 165.1 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 10.0 110.372 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -127.52 146.08 33.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.533 1.146 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 120.69 32.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 10.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.608 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.9 m-90 -106.31 99.8 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.03 130.79 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 10.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.59 101.54 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 10.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -80.55 -67.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 10.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.556 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -157.03 -162.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 10.0 109.375 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 35' ' ' LYS . 2.7 mm? 68.04 70.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.239 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.2 m -126.26 157.9 68.53 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.05 167.97 78.85 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.991 -2.504 . . . . 10.0 110.958 0.071 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -178.79 155.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 10.0 109.532 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.582 HD22 HD12 ' A' ' 61' ' ' LEU . 29.3 p30 -140.33 172.49 12.66 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.415 1.072 . . . . 10.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.4 mt -126.22 79.13 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 45.9 t -80.11 132.84 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-85 -105.0 125.18 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 10.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.63 154.89 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -112.85 76.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 10.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.56 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.11 5.7 75.19 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.42 1.075 . . . . 10.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.0 165.61 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.8 160.04 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.14 -59.93 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -44.02 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 109.359 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.76 -53.2 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 10.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -56.05 -28.4 57.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 10.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.55 -52.82 61.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 10.0 109.191 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.94 99.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 109.294 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.725 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -77.33 -4.97 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -93.98 114.74 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 10.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 9.9 m-70 -88.45 102.23 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -124.59 40.29 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.87 -27.58 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.582 HD12 HD22 ' A' ' 40' ' ' ASN . 0.2 OUTLIER 73.84 109.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 10.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -105.97 158.29 16.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 10.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.87 -43.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 10.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 114.05 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.76 167.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.2 -39.32 3.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.468 1.105 . . . . 10.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.77 101.79 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 10.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.57 128.86 55.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 10.0 110.037 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 38.8 m-85 -82.53 173.64 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 31.6 m -140.93 158.58 43.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.3 p -145.92 173.31 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 10.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.534 HG23 ' HG3' ' A' ' 28' ' ' GLU . 8.2 m -146.23 122.14 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 10.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.0 m-85 -101.77 98.71 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.444 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -83.41 -58.89 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.615 1.197 . . . . 10.0 110.404 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -69.43 131.14 90.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 10.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.03 85.41 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.99 -147.8 5.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.434 1.084 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' VAL . 12.9 m -142.28 116.25 9.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 0.754 . . . . 10.0 110.476 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 14.7 m-85 -92.09 158.98 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 69.8 m -142.89 151.08 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 110.415 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 9.1 p90 -148.33 179.53 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 10.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 12.7 p90 -153.78 -177.11 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.6 t -149.85 106.89 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 108.315 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.4 mt-10 -74.7 -55.85 2.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.08 70.76 5.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 10.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 1.043 ' ND1' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -146.24 47.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.559 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 40.31 43.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 110.217 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 76.24 0.14 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.496 1.123 . . . . 10.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.58 -33.25 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 10.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' MET . . . 102.05 -76.52 0.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.563 1.164 . . . . 10.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.043 ' SD ' ' ND1' ' A' ' 86' ' ' HIS . 13.1 ptm 36.11 89.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 10.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.82 -65.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 60.42 127.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.71 168.86 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 0.723 . . . . 10.0 109.277 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' THR . 6.8 t -129.59 159.41 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -138.0 136.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.38 1.05 . . . . 10.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.489 HG13 ' C ' ' A' ' 24' ' ' LYS . 2.8 t -106.92 117.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 10.0 109.285 179.981 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -177.97 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 10.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -117.12 102.71 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 10.0 109.261 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 t -108.75 159.69 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 10.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.424 HG22 ' HD2' ' A' ' 18' ' ' PRO . 56.1 t -144.72 114.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 10.0 109.32 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -58.65 103.82 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 10.0 109.222 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.827 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.9 mtm -57.71 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 10.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HA ' ' A' ' 13' ' ' ALA . . . 96.24 144.65 17.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 10.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' N ' ' HA ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -75.93 154.85 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 10.0 110.011 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -27.88 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -51.79 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.899 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.896 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -112.67 -20.5 6.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 10.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.733 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . 73.49 85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 91' ' ' MET . 9.7 tp -125.66 -58.74 1.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.142 . . . . 10.0 109.247 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' OE1' ' A' ' 17' ' ' GLU . 3.2 m -91.86 156.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 10.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 7' ' ' MET . 22.5 m-85 -93.11 119.64 32.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.66 135.77 27.39 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 10.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 133.1 29.87 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.007 -2.497 . . . . 10.0 111.04 -0.062 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.6 p -50.9 -53.76 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 110.064 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 136.52 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 10.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.9 m -145.08 138.24 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.19 123.29 39.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.507 HD13 ' CG ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -124.55 162.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' N ' ' CG1' ' A' ' 23' ' ' ILE . 3.3 mmtt -82.14 159.71 23.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 10.0 109.217 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.37 66.74 8.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 10.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 172.19 -31.73 0.12 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.431 1.082 . . . . 10.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' HD11 ' A' ' 23' ' ' ILE . 41.9 mt-10 -73.81 170.11 15.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 10.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.54 174.52 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 110.239 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 3' ' ' ALA . 3.0 t -122.35 138.65 51.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -113.89 116.02 28.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.64 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.5 m-90 -100.19 99.82 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.37 129.59 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.08 129.62 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.235 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 22.2 p-10 -96.82 -49.3 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 109.357 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -162.13 -175.8 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 64.95 70.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -99.85 153.84 37.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.94 -167.96 6.06 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.135 -2.444 . . . . 10.0 110.945 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -150.05 108.47 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.646 179.883 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -100.98 142.94 31.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 10.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.827 HD11 ' SD ' ' A' ' 7' ' ' MET . 9.5 mt -131.97 62.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 10.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.95 130.88 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.9 m-85 -100.57 156.2 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 111.043 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.933 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.68 156.11 32.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 10.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.6 65.78 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.61 76.86 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 10.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.58 -23.83 34.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 10.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.75 HG13 ' OE1' ' A' ' 75' ' ' GLU . 4.6 t -90.67 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 10.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.584 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -73.08 163.36 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.91 -53.66 9.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 10.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.783 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.11 -51.32 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 109.192 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -52.2 -53.01 48.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.3 -18.55 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.29 -41.5 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -36.2 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -84.71 -4.09 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 10.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.57 127.38 34.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.971 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 10.9 m170 -97.78 101.24 12.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 10.0 109.567 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -110.43 22.27 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 10.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 -44.8 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.626 1.204 . . . . 10.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.24 118.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -95.08 131.5 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 37' ' ' SER . 77.2 m-85 -104.06 -43.08 5.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.18 141.43 30.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 10.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.79 56.87 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 -42.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.526 1.141 . . . . 10.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.37 138.14 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 10.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.34 128.41 37.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 49.1 m-85 -76.98 175.91 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.6 m -145.35 144.31 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 9.3 p -145.52 126.36 14.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -83.73 137.11 33.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 10.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 97' ' ' VAL . 2.9 m-85 -110.54 97.65 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 10.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -40.89 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 10.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.75 ' OE1' HG13 ' A' ' 48' ' ' VAL . 15.0 tt0 -77.82 117.69 67.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 110.273 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 86.24 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.589 1.836 . . . . 10.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.86 -137.86 2.98 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.502 1.126 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.574 HG23 HG22 ' A' ' 96' ' ' VAL . 20.1 m -145.13 126.97 15.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 0.809 . . . . 10.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' HD13 ' A' ' 56' ' ' LEU . 55.2 m-85 -109.21 156.82 19.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 10.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 m -143.78 147.03 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.78 178.86 7.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.933 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -146.51 -168.69 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 10.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.51 88.49 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 10.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -76.49 -56.77 1.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 10.0 110.232 -179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.04 55.29 3.92 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.481 1.78 . . . . 10.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.485 ' NE2' HD12 ' A' ' 36' ' ' LEU . 7.1 t60 -133.84 -49.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.603 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 158.43 157.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.609 1.193 . . . . 10.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.4 52.63 4.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 10.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.64 -39.83 4.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 10.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.77 164.07 17.44 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.488 1.118 . . . . 10.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.527 ' HE2' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -165.97 126.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 10.0 110.971 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 93' ' ' GLY . 23.8 t -114.73 170.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.534 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 132.96 133.05 3.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 10.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 155.82 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 10.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG13 HG23 ' A' ' 21' ' ' VAL . 2.4 t -105.09 155.5 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 10.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 78' ' ' THR . 40.6 t -142.07 118.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CD2' ' A' ' 73' ' ' PHE . 2.1 t -79.39 170.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.468 ' H ' HG12 ' A' ' 97' ' ' VAL . 22.5 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -81.0 146.92 30.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 10.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -86.93 147.83 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -147.01 158.77 44.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 77.2 t -145.28 134.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 10.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -85.5 49.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 41' ' ' ILE . 34.1 mtt 35.13 -95.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 10.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -68.84 -145.32 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.361 1.038 . . . . 10.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.659 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 6.2 m -137.56 152.21 49.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 10.0 110.01 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -72.85 -29.46 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 10.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -86.66 46.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 10.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.59 54.76 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.53 1.144 . . . . 10.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -124.14 149.89 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 86' ' ' HIS . 5.0 mp -82.34 -49.63 9.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 92' ' ' VAL . 23.9 m -39.86 142.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 10.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 61.7 m-85 -75.0 135.01 41.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 10.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -137.76 120.3 11.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 10.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.03 140.96 70.23 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 121.009 -2.496 . . . . 10.0 110.991 -0.028 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p -58.97 -49.21 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -108.38 142.54 38.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 10.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -144.29 138.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -89.92 138.66 31.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.436 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 29' ' ' VAL . 8.6 tt -142.88 160.14 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.77 166.11 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 10.0 109.215 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.52 83.77 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 10.0 109.221 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 146.16 -18.72 1.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 10.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 1' ' ' ALA . 5.8 mt-10 -74.69 -178.9 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.611 0.83 . . . . 10.0 110.272 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.4 pm0 -126.41 170.08 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 10.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 23' ' ' ILE . 7.2 t -130.26 135.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -111.96 127.57 55.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.839 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.6 m-90 -115.88 100.04 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 10.0 108.017 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 10.0 109.198 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -75.19 134.1 41.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 10.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 9' ' ' SER . 3.7 t30 -115.67 -64.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 10.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.25 -149.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 10.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.5 mm? 50.19 69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.367 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.614 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -118.05 165.73 15.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 10.0 109.968 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.614 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 168.7 76.62 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.493 . . . . 10.0 110.979 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER 179.21 -177.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 109.571 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 1.006 ' OD1' HG23 ' A' ' 42' ' ' VAL . 20.9 p30 -173.2 -177.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 10.0 109.24 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 ' CE ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -126.87 77.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.617 1.198 . . . . 10.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.006 HG23 ' OD1' ' A' ' 40' ' ' ASN . 89.4 t -86.19 128.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.1 m-85 -105.11 135.2 46.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 10.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.52 166.89 10.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 10.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.57 73.27 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -103.33 88.72 3.18 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.501 1.125 . . . . 10.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 -32.42 6.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 10.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 79' ' ' TYR . 8.5 t -88.0 168.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 10.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.5 m-20 -66.16 162.98 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.73 -61.44 1.78 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 10.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.758 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.26 -47.0 46.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -53.73 -66.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 10.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.16 -25.61 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.36 -51.45 60.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 10.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -47.61 82.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.4 mp -68.55 -17.38 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.183 . . . . 10.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.4 t -82.34 132.88 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 10.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 17.9 m80 -107.32 100.22 9.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 10.0 109.548 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -106.5 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 10.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.04 -31.59 5.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 10.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.77 141.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 10.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -124.39 167.84 13.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.408 1.068 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 28.4 m-85 -160.68 -51.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 10.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -75.35 130.17 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.05 95.31 0.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 10.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.34 -40.47 0.33 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.557 1.161 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.866 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 4.6 mp0 -74.86 100.71 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 10.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.1 p -110.02 155.75 21.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 10.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 15.4 m-85 -112.64 172.83 6.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -145.04 148.14 33.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.461 1.101 . . . . 10.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.503 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.6 p -145.14 143.46 30.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.6 m -100.61 130.29 46.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.955 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -101.9 98.46 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 10.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -94.8 -48.23 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 10.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 118.78 70.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 10.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 10.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.79 -145.98 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 10.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 95' ' ' VAL . 5.7 m -134.0 127.33 32.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 10.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.672 ' CE2' HD22 ' A' ' 56' ' ' LEU . 66.5 m-85 -107.93 153.77 22.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -135.72 139.67 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 7.5 p90 -141.68 170.34 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -177.68 160.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 1.079 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -122.4 158.79 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 10.0 108.334 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.28 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 10.0 110.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -75.0 59.84 5.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 10.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.62 -88.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 10.0 109.559 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -68.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 10.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.4 ' H ' HD22 ' A' ' 14' ' ' LEU . . . -52.7 -102.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 10.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.76 -57.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 10.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.27 -132.4 4.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 10.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' MET . . . . . 1.079 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 2.9 ttt 176.37 90.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 10.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 15' ' ' VAL . 4.0 m -67.29 136.36 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.86 121.86 1.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 10.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -136.75 176.55 8.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 10.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 HG23 ' A' ' 21' ' ' VAL . 1.5 t -126.65 153.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.2 t -134.02 113.52 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 10.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.0 t -75.86 154.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -134.17 169.81 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -108.21 161.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 13.5 t -145.01 150.08 36.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 10.0 110.431 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.91 125.85 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -80.18 120.8 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 10.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.601 ' HE1' HD11 ' A' ' 41' ' ' ILE . 1.2 mtm -62.06 105.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.056 . . . . 10.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.7 -141.31 15.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.31 151.88 39.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 10.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -57.63 -56.16 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 10.0 109.389 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -47.77 -52.14 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.44 68.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 10.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -123.25 -174.33 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 10.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HG ' ' HB1' ' A' ' 89' ' ' ALA . 4.3 mm? -113.09 -52.31 2.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.6 m -40.09 139.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.656 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 17.5 m-85 -81.71 124.7 29.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 10.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -130.27 127.4 22.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 10.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.0 Cg_endo -75.0 137.38 50.01 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.016 -2.493 . . . . 10.0 110.949 0.012 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -61.69 -41.78 98.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 10.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.2 m -116.7 137.83 51.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 10.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.6 m -140.93 159.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 10.0 109.211 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.86 138.54 33.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.53 158.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -104.42 156.06 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.97 93.23 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.623 1.202 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 135.81 -28.81 2.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.52 -179.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 10.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.3 pt-20 -135.31 178.45 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 10.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 3' ' ' ALA . 1.6 t -129.26 163.72 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.485 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 4.4 ttmt -130.78 113.99 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.627 ' CE3' HG12 ' A' ' 29' ' ' VAL . 20.3 m-90 -99.03 99.67 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 10.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 143.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.697 ' OD1' ' HB1' ' A' ' 62' ' ' ALA . 1.9 m120 -81.67 126.85 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 10.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' MET . 3.1 t30 -100.39 -56.66 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -177.4 -170.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 36' ' ' LEU . 3.0 mm? 65.72 70.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 10.0 109.357 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 15.4 p -92.51 149.53 38.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 10.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 -167.35 5.56 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.072 -2.47 . . . . 10.0 110.959 0.064 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.73 111.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 10.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -113.97 152.37 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 10.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.6 mt -121.43 70.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.76 129.11 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 10.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.799 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -102.55 126.55 49.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 10.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.46 154.26 21.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -101.99 79.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -100.14 -65.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 10.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.82 8.89 61.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.509 HG11 ' CE2' ' A' ' 79' ' ' TYR . 7.2 t -131.3 160.21 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.08 159.46 5.77 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.619 1.199 . . . . 10.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.74 -52.69 23.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 10.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-20 -55.38 -61.88 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 10.0 109.248 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 ' HE2' ' A' ' 79' ' ' TYR . 15.4 m -43.87 -52.54 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 10.0 110.392 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.72 -36.55 69.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 10.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.68 -19.12 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -41.52 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -82.23 -14.61 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.01 143.8 43.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.999 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.579 ' CD2' ' CB ' ' A' ' 69' ' ' PHE . 45.0 m80 -114.1 99.24 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 10.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -98.0 40.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.18 -133.05 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 10.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.62 118.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 10.0 109.287 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.697 ' HB1' ' OD1' ' A' ' 33' ' ' ASN . . . -118.76 148.74 42.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 10.0 109.281 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 12.4 p90 -162.98 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.9 116.99 24.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.51 105.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.383 1.052 . . . . 10.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.64 -37.41 0.62 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.471 1.107 . . . . 10.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.5 100.18 10.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.375 0.691 . . . . 10.0 110.215 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 m -116.85 145.84 43.29 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 10.0 110.037 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.579 ' CB ' ' CD2' ' A' ' 58' ' ' HIS . 22.0 m-85 -104.54 174.58 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 10.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' VAL . 23.8 m -145.42 148.9 33.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 1.054 . . . . 10.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -142.95 138.45 30.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 10.0 110.01 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.5 m -107.94 125.71 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 10.0 110.415 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.711 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 9.3 m-85 -93.65 98.23 11.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 10.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -89.78 -22.21 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 10.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.24 123.66 41.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.387 1.73 . . . . 10.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.51 -151.54 5.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.568 1.167 . . . . 10.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 m -130.32 99.75 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 0.81 . . . . 10.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.711 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 72.9 m-85 -80.06 147.27 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' ' 94' ' ' LYS . 98.2 m -128.48 147.93 50.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.578 1.174 . . . . 10.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' PHE . 24.6 p90 -160.05 174.99 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.577 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -165.45 -169.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 106.87 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 108.314 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -64.08 -52.17 57.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 10.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.0 171.6 18.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 10.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 56.92 108.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 10.0 109.626 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -94.61 -175.75 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 10.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.587 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 50.67 58.36 9.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 10.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 170.66 101.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.04 145.27 19.79 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.56 1.163 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.656 ' CE ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -123.22 -47.03 2.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 0.774 . . . . 10.0 111.031 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.664 HG12 ' N ' ' A' ' 93' ' ' GLY . 79.6 t 63.29 -103.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.664 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.94 132.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.441 1.088 . . . . 10.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.445 ' HG2' HG23 ' A' ' 80' ' ' THR . 78.6 mttt -141.37 162.7 34.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 0.707 . . . . 10.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 t -116.83 153.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 123.37 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.506 1.129 . . . . 10.0 109.247 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.505 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -95.0 158.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 10.0 109.268 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -74.7 148.03 40.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 10.0 109.325 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -80.19 119.84 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 10.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -118.43 155.02 31.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 110.417 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -138.38 152.6 25.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.65 1.219 . . . . 10.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -108.13 113.09 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 10.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.681 ' CE ' HD11 ' A' ' 41' ' ' ILE . 7.6 mtt -44.68 128.88 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 10.0 110.972 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.05 -136.1 28.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.9 159.38 43.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -53.31 -48.77 68.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 10.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -60.4 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 10.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.21 79.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 10.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.75 161.88 32.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' A' ' 86' ' ' HIS . 3.9 mm? -77.85 -55.01 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG12 ' C ' ' A' ' 90' ' ' GLY . 12.7 m -58.72 121.38 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -74.67 153.65 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 10.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.3 mp0 -146.87 130.73 8.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 10.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 158.18 99.15 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.018 -2.492 . . . . 10.0 111.045 0.087 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -86.94 -29.59 21.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 10.0 110.063 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.0 m -125.2 128.8 48.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.433 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -130.68 160.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -89.41 144.54 25.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 10.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.637 HG23 HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -145.61 158.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 10.0 109.267 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -103.96 156.32 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 10.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.86 101.68 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 10.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.21 -21.66 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 10.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.65 -179.53 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 10.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -131.82 176.04 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 10.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -131.49 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -125.49 125.59 43.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.239 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 17.4 m-90 -113.75 99.59 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -92.95 143.87 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 10.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -90.48 122.7 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 10.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -91.95 -66.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -174.71 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 14' ' ' LEU . 2.0 mp 63.45 69.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 10.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -101.23 159.49 29.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 10.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.93 -171.23 9.08 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.072 -2.47 . . . . 10.0 111.056 -0.146 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.51 138.3 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 10.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' C ' ' CG1' ' A' ' 41' ' ' ILE . 9.2 t30 -127.45 170.92 12.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' CE ' ' A' ' 7' ' ' MET . 4.2 mt -149.62 73.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 10.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.7 t -82.67 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.6 m-85 -105.52 125.96 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.43 164.68 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.331 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.6 75.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 10.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -98.14 94.56 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.554 1.159 . . . . 10.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.9 -35.91 3.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.43 1.081 . . . . 10.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.22 160.42 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 10.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 155.34 12.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 10.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.66 -55.23 8.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.81 -54.42 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 10.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -51.73 -55.77 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.073 . . . . 10.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.91 -33.02 35.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.37 -43.19 95.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -40.41 77.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.953 HD23 ' HB2' ' A' ' 71' ' ' SER . 9.6 mt -81.97 -3.48 54.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.244 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 8.8 t -93.31 130.76 38.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 10.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 6.9 m-70 -95.33 100.91 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 10.0 109.564 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.74 -33.4 25.08 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.4 125.17 8.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.368 1.043 . . . . 10.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.12 154.26 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 10.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.53 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 10.0 109.393 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -124.28 -56.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 10.0 110.966 -179.862 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.63 126.48 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 10.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.18 86.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.1 -34.42 0.09 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 10.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.92 105.41 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.372 0.69 . . . . 10.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 p -108.5 148.6 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 10.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -99.44 172.48 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.103 . . . . 10.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 m -145.71 147.58 32.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 10.0 110.343 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.953 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.5 p -144.82 150.25 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 10.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.585 ' O ' HD21 ' A' ' 56' ' ' LEU . 6.9 m -116.74 137.36 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 110.338 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 7.1 m-85 -107.36 98.06 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 10.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -44.85 17.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 10.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.44 124.1 73.98 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 10.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.447 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.43 1.753 . . . . 10.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.58 -152.88 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 10.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 104.79 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 10.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.766 ' CE2' HD13 ' A' ' 56' ' ' LEU . 70.4 m-85 -85.43 156.56 20.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 10.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.5 m -137.37 146.05 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 11.5 p90 -155.29 168.49 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.95 -148.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 t -151.03 36.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 10.0 108.342 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 56.94 161.1 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 10.0 110.395 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 65.18 6.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.449 1.763 . . . . 10.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.517 ' CE1' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.29 170.95 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.605 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 ttm-85 -43.84 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 110.354 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.657 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 130.35 -125.37 4.61 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.109 . . . . 10.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 165.01 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.588 0.817 . . . . 10.0 109.276 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.426 ' C ' HG12 ' A' ' 15' ' ' VAL . . . -63.07 112.11 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 10.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 179.84 66.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 10.0 111.014 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.7 m -102.57 123.45 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 10.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.521 ' HA3' ' CE1' ' A' ' 16' ' ' PHE . . . -147.22 146.98 17.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.158 . . . . 10.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.66 43.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 10.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.14 153.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.26 122.81 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 10.0 109.375 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -96.09 99.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.305 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.185 . . . . 10.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -144.5 172.57 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -104.19 104.79 14.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 10.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -108.52 160.57 15.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 10.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 26.4 t -145.38 163.68 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 10.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -104.75 125.77 51.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 10.0 109.318 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 39' ' ' HIS . 5.5 mtm -61.2 -85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.26 166.9 54.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -109.89 151.16 27.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 10.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -43.85 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 10.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -59.03 -46.17 88.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.27 60.34 0.39 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.35 174.65 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 0.705 . . . . 10.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.96 52.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 10.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.94 144.61 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 10.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 63.5 m-85 -78.84 144.22 35.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -138.38 102.8 7.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 110.334 179.902 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.92 -179.99 28.54 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 10.0 111.085 -0.073 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p -102.96 -26.92 12.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 110.052 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -125.46 125.44 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 10.0 110.465 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 5' ' ' VAL . 16.6 m -132.68 140.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 10.0 109.23 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -87.61 145.08 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 10.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 29' ' ' VAL . 2.3 tt -145.58 156.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.2 mmtt -83.97 165.62 18.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 10.0 109.223 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.38 81.4 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.637 1.211 . . . . 10.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 153.5 -25.93 0.76 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.483 1.114 . . . . 10.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.44 -178.4 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 10.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 1.1 pm0 -124.85 178.77 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 10.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 23' ' ' ILE . 2.7 t -133.67 140.88 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 10.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.82 124.32 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 10.0 109.237 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.8 m-90 -110.34 102.59 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 10.0 108.01 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.62 136.24 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 10.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -87.04 101.32 13.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.58 -63.39 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.4 -170.57 1.9 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.56 1.162 . . . . 10.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 7.7 mp 67.44 65.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 10.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -96.04 160.32 30.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 10.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 -172.97 11.54 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.02 -2.492 . . . . 10.0 110.976 0.146 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 10.2 m-70 -145.04 155.73 43.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.578 1.173 . . . . 10.0 109.652 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.41 103.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 10.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.707 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.6 mt -87.68 86.81 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 10.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 31.6 t -84.42 131.41 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.707 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.9 m-85 -106.86 124.63 49.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 10.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.22 158.46 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.01 75.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.91 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 10.0 109.296 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.51 13.09 64.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 10.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.655 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.13 167.19 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 10.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.37 166.48 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.62 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 10.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -53.96 -61.82 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -45.93 -52.04 12.28 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.464 1.103 . . . . 10.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -60.74 -30.43 69.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -57.8 -44.93 86.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -64.65 -27.84 69.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 10.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 43.1 t -75.31 128.79 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.024 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 9.1 m170 -77.72 102.13 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.53 33.4 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 10.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -120.61 -158.63 10.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 10.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 60' ' ' GLY . 4.9 mp -143.58 129.58 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -110.54 117.68 34.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 35.5 p90 -133.94 -45.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 10.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.2 118.48 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 10.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 169.54 -30.4 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 10.0 111.026 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -82.1 116.67 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 10.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.2 p -123.42 152.16 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 73.8 m-85 -97.59 173.33 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 10.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 7.0 m -146.02 146.41 30.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 10.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.5 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 7.6 p -145.15 142.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 10.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -99.02 134.11 42.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 10.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.968 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -105.58 97.91 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.5 -47.55 6.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 10.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.89 119.41 75.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 10.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.85 61.27 5.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 10.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.67 -144.72 6.77 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 10.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -136.96 116.2 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 0.751 . . . . 10.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.655 ' CE2' HG11 ' A' ' 48' ' ' VAL . 53.7 m-85 -95.85 150.74 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -135.99 150.1 49.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.515 1.134 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 3.6 p90 -150.04 167.71 25.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CE2' ' HG2' ' A' ' 84' ' ' GLU . 2.9 p90 -170.56 127.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 10.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.552 ' CB ' ' ND1' ' A' ' 86' ' ' HIS . 1.6 m -60.61 103.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 10.0 108.232 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -60.29 -54.54 54.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.05 -65.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.467 1.772 . . . . 10.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.552 ' ND1' ' CB ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 48.63 -168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 109.597 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -151.22 50.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 10.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -166.46 -87.43 0.07 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.551 1.157 . . . . 10.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 175.33 100.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 0.804 . . . . 10.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.72 169.0 10.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 10.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.728 ' C ' HG23 ' A' ' 92' ' ' VAL . 57.9 ttp -141.26 -49.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 91' ' ' MET . 1.7 t 76.64 -172.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.717 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 95.61 128.67 5.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.52 166.91 24.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.51 159.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.356 1.035 . . . . 10.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.2 t -139.06 115.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 ' CD2' ' A' ' 73' ' ' PHE . 4.4 t -77.65 140.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 10.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.0 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -141.78 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 109.259 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.993 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.06 113.51 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 10.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -123.77 150.28 44.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.655 ' CG2' HG11 ' A' ' 21' ' ' VAL . 72.7 t -145.33 121.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 10.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -70.36 114.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 10.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 33' ' ' ASN . 44.2 mtt -34.68 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.11 -134.97 6.7 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.467 1.104 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.555 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 4.3 m -128.73 126.03 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 10.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.21 -59.5 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 10.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -30.82 14.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.567 1.167 . . . . 10.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 113.54 86.98 1.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -167.38 141.03 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 10.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -76.96 81.11 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 10.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 16' ' ' PHE . 2.2 t -135.22 174.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 10.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.619 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 14.1 p90 -145.04 109.9 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.37 141.19 16.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 10.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.08 134.89 37.96 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 10.0 111.019 0.041 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -51.88 -46.13 64.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.985 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 94' ' ' LYS . 1.1 m -116.57 118.92 33.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 10.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG12 ' HG2' ' A' ' 18' ' ' PRO . 2.9 m -118.84 139.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 10.0 109.371 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.68 134.39 33.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.374 -179.888 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 HG23 ' A' ' 29' ' ' VAL . 4.8 tt -139.4 161.92 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.1 mttt -95.95 164.37 12.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -80.82 90.74 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.88 -14.36 4.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.552 1.157 . . . . 10.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.472 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -75.0 177.16 6.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 0.771 . . . . 10.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.12 165.41 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -125.92 161.5 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -139.55 126.94 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 10.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.612 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.6 m-90 -111.35 99.91 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -83.97 129.15 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.492 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 43.1 t30 -88.37 131.17 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 10.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -113.51 -34.3 5.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 10.0 109.235 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER 177.05 -166.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 10.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? 64.83 63.1 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.573 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -104.56 163.71 16.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 10.0 109.994 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.0 -60.47 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.914 -2.536 . . . . 10.0 111.015 -0.085 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 65.56 152.19 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 10.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.449 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 2.5 m120 -129.02 178.51 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 10.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.0 mt -130.64 59.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 10.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.74 138.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.21 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -108.02 139.91 41.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.44 1.087 . . . . 10.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.96 144.37 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.31 77.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 10.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 -60.53 1.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 10.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.08 58.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 10.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 49' ' ' ASP . 39.7 t -129.29 167.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 10.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.5 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -73.27 152.95 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.595 1.185 . . . . 10.0 109.362 179.873 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 19.6 m-20 -52.62 -56.53 14.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 10.0 109.195 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -50.77 -51.21 52.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 110.372 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.32 -19.48 63.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.99 -34.49 73.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.589 1.181 . . . . 10.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -24.67 29.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 10.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.2 -8.58 38.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 13.9 t -90.53 133.49 35.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 10.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.4 m-70 -111.58 99.64 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 10.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -43.79 3.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 109.226 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 61' ' ' LEU . . . 126.75 153.4 8.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 10.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER 162.22 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 10.0 109.378 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -111.04 104.52 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 10.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -138.12 -45.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 10.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.2 112.04 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.63 156.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.27 9.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 10.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.81 117.46 16.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.471 0.747 . . . . 10.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.79 132.78 45.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.937 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' HD2' HD12 ' A' ' 41' ' ' ILE . 17.5 m-85 -89.84 174.32 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 10.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.6 m -145.1 151.55 38.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 10.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.41 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 13.4 t -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 10.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.429 ' O ' HD21 ' A' ' 56' ' ' LEU . 20.5 m -110.75 117.74 34.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.8 m-85 -96.42 99.3 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 10.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.73 -49.98 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.1 tt0 -80.99 131.69 59.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 10.0 110.393 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -74.99 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 10.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.83 -149.83 6.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.37 1.044 . . . . 10.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.46 102.92 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 10.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.885 ' CE2' HD12 ' A' ' 56' ' ' LEU . 61.4 m-85 -86.23 154.16 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 10.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 93' ' ' GLY . 65.5 m -141.15 149.45 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 10.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 8.6 p90 -142.96 147.76 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.671 1.232 . . . . 10.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.3 p90 -120.18 -7.65 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 111.057 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 84' ' ' GLU . 1.3 t 68.09 -67.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.352 1.032 . . . . 10.0 108.346 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 4.7 mt-10 159.0 171.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.296 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 54.4 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.408 1.741 . . . . 10.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.695 ' CE1' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -82.03 142.86 31.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.624 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.17 -83.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 151.25 52.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 10.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.584 ' HB3' HD23 ' A' ' 14' ' ' LEU . . . -121.25 -59.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 10.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' MET . . . 138.72 -50.41 0.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.616 1.197 . . . . 10.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.584 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 37.2 73.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 0.699 . . . . 10.0 110.984 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.619 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 26.6 m -121.44 120.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.403 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -117.02 169.78 13.2 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.465 1.103 . . . . 10.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -145.55 120.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 10.0 109.21 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.03 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 109.399 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.5 t -144.52 123.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 10.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 98' ' ' ASP . 3.6 t -90.87 171.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 10.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.561 ' H ' HG12 ' A' ' 97' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.577 1.173 . . . . 10.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' ALA . 4.7 p-10 -78.17 176.5 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 10.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -79.6 157.03 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -146.76 162.62 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.386 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -140.39 144.2 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.34 150.74 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.595 ' SD ' HD11 ' A' ' 41' ' ' ILE . 22.3 mtt -85.05 89.53 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 10.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.46 -140.43 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 10.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -142.38 144.81 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 10.0 110.038 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -55.6 18.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 10.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -45.6 38.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 10.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.3 84.3 0.76 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.564 1.165 . . . . 10.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.12 145.22 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 10.0 109.372 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.927 HD11 ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -74.89 60.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.329 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.85 128.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.397 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 82.6 m-85 -76.24 120.78 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 10.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -131.74 125.66 20.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 10.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.11 143.93 79.24 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.025 -2.489 . . . . 10.0 110.988 0.089 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -67.62 -47.24 70.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.87 136.85 47.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 10.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.8 m -143.01 136.6 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.66 142.72 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 10.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 97' ' ' VAL . 0.7 OUTLIER -140.57 -179.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -120.14 179.17 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.64 82.79 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 143.44 -14.09 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.447 1.092 . . . . 10.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.16 -178.19 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 10.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.7 OUTLIER -129.25 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.247 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.777 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 12.4 t -141.27 118.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 10.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -96.92 139.42 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 10.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.777 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.7 m-90 -124.7 100.04 6.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.62 1.2 . . . . 10.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' OG ' ' A' ' 68' ' ' SER . 9.8 p -88.33 142.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -83.62 118.22 23.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -97.63 -57.46 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.512 1.132 . . . . 10.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -172.15 -170.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 10.0 109.231 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp 68.28 70.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.359 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.67 161.3 46.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 10.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 164.09 89.2 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.968 -2.513 . . . . 10.0 110.998 0.077 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -176.96 148.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 10.0 109.658 -179.97 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.96 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.2 mp -123.33 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 27.5 t -84.4 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 10.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -108.71 148.57 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 10.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -103.71 155.03 18.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -98.91 77.18 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 10.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.24 106.85 17.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.99 -39.94 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 10.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.1 t -85.22 168.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 0.757 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.62 151.12 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -54.78 25.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.858 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -49.86 -49.86 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -51.41 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -53.84 -22.29 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.34 -50.2 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.633 1.208 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.42 76.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -82.96 -6.58 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.478 1.111 . . . . 10.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.4 t -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 10.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 5.2 m170 -82.53 103.1 11.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 10.0 109.627 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.39 -32.75 24.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.37 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.55 131.29 10.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 10.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' H ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -89.32 179.06 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 0.717 . . . . 10.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.43 157.87 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 10.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 22.6 m-85 -133.33 -47.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 10.0 111.029 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.3 136.84 36.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.41 77.9 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.82 -40.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 10.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.83 99.91 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.583 0.814 . . . . 10.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.421 ' OG ' HG23 ' A' ' 32' ' ' VAL . 1.4 m -111.56 138.16 48.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 10.0 110.015 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 57.4 m-85 -92.92 174.34 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -145.59 149.74 35.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.083 . . . . 10.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 8.9 p -145.42 129.59 17.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 10.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 28' ' ' GLU . 90.2 m -90.21 128.8 36.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 10.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.903 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-30 -96.4 99.66 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -96.63 -48.47 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 10.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.38 119.99 79.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.548 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -75.03 68.06 5.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 10.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.62 -138.55 5.22 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.481 1.113 . . . . 10.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.24 105.32 4.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 0.81 . . . . 10.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 56' ' ' LEU . 56.6 m-85 -88.88 147.64 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 10.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 m -142.67 150.07 39.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.185 . . . . 10.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 8.1 p90 -134.85 162.96 30.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -144.71 77.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' TYR . 53.1 t -41.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.398 1.061 . . . . 10.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 tt0 -71.16 -51.98 9.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 92.49 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.545 1.813 . . . . 10.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' HE3' ' A' ' 91' ' ' MET . 2.5 t60 -162.77 -69.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.573 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -171.37 -48.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.38 61.31 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 10.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.927 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -114.4 -59.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 10.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 91' ' ' MET . . . -173.37 -92.23 0.08 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.433 1.083 . . . . 10.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER 78.17 -52.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.773 . . . . 10.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 93' ' ' GLY . 77.9 t 54.08 -101.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.637 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 61.4 119.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 10.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -144.86 159.05 43.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 10.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.7 t -121.84 156.0 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 10.0 109.406 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 23' ' ' ILE . 70.3 t -131.4 131.56 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 10.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.7 t -100.88 148.81 6.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.504 1.128 . . . . 10.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.297 -179.995 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.65 142.82 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 10.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -140.57 148.05 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.2 t -137.38 155.92 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -143.18 138.18 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 10.0 109.211 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -99.07 110.96 23.48 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.533 1.146 . . . . 10.0 109.218 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.59 ' HE1' HD11 ' A' ' 41' ' ' ILE . 10.0 mtt -35.79 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 10.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 177.17 51.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.401 1.063 . . . . 10.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 15' ' ' VAL . 28.7 m -142.23 131.28 23.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.729 . . . . 10.0 110.041 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 60.0 12.68 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 35' ' ' LYS . 4.8 t 50.26 52.15 15.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' CA ' HD21 ' A' ' 36' ' ' LEU . . . -167.79 -44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 10.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.01 146.48 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 10.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -104.07 104.77 14.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 10.0 109.244 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' OG ' ' A' ' 9' ' ' SER . 17.2 m -148.78 -170.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 16' ' ' PHE . 1.2 p90 -145.07 111.11 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 10.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -143.06 141.96 20.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 10.0 110.308 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.95 133.68 32.49 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.048 -2.48 . . . . 10.0 110.971 0.037 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 91.2 p -38.17 -53.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 10.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -114.47 150.89 34.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 10.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.5 m -140.37 161.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.05 138.35 41.39 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.543 1.152 . . . . 10.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.996 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.04 162.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 10.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 mmtt -111.95 158.12 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.232 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 101.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 10.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.73 -20.24 7.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 10.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -75.0 -179.07 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 10.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -137.26 172.31 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 2.3 t -130.93 162.39 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 10.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 5.3 ttmt -128.89 122.89 31.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.415 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 21.2 m-90 -108.24 99.81 9.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.965 -1.124 . . . . 10.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.88 144.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 10.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -86.01 136.91 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 10.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.66 -54.81 2.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 10.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 1.1 tttm -178.8 -170.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.432 1.083 . . . . 10.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.18 55.34 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 10.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.42 161.24 49.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 10.0 109.975 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.975 -2.51 . . . . 10.0 110.978 -0.014 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.27 130.08 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 109.645 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.472 HD21 HD12 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -129.64 123.75 32.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 10.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.641 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -99.0 67.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 10.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 38.3 t -78.56 137.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 10.0 109.394 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.641 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.9 m-85 -110.96 134.12 52.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 10.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -87.36 163.86 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.489 1.118 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.69 75.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 10.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.67 -81.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.71 86.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 10.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.77 158.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.04 166.82 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.192 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.55 -56.11 5.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 10.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.62 -54.77 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 m -51.73 -41.86 61.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 10.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -64.67 -33.37 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.79 64.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -33.8 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 10.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.815 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.32 -9.01 46.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 10.0 109.353 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 13.3 t -82.89 138.19 33.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 10.0 109.894 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.542 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.8 m-70 -100.09 99.93 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 10.0 109.633 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 38.17 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.91 -42.58 1.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 10.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD22 ' CE2' ' A' ' 63' ' ' PHE . 4.1 tt 80.82 135.34 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 10.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.63 135.4 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 10.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 61' ' ' LEU . 9.4 m-85 -118.06 -67.41 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 10.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 162.18 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.61 1.193 . . . . 10.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.16 92.66 6.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 10.0 109.376 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.5 -32.48 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 10.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.16 124.1 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 10.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -123.8 161.85 24.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 35.4 m-85 -117.65 174.05 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 10.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.2 m -145.78 149.46 34.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 10.0 110.418 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -145.34 130.11 18.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 10.0 109.99 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HD21 ' A' ' 56' ' ' LEU . 31.8 m -99.36 116.59 31.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 10.0 110.322 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.746 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -81.65 99.07 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -17.32 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -110.66 123.71 34.94 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.44 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.05 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.94 -152.22 5.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 10.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m -127.58 100.72 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.815 ' CD2' HD12 ' A' ' 56' ' ' LEU . 68.2 m-85 -81.32 138.35 35.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 10.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 m -120.12 139.73 52.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 10.0 110.479 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 34.9 p90 -139.46 153.77 47.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.777 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -161.25 166.32 27.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.619 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 1.8 m -103.51 -172.21 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 108.342 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.581 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -172.77 -60.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 10.0 110.319 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.06 52.71 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.619 ' CE1' ' CB ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -162.65 -172.35 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 109.573 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.54 145.78 53.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 10.0 110.201 -179.868 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.57 -144.39 30.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.127 . . . . 10.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.53 -73.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 0.755 . . . . 10.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.88 150.37 10.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -66.48 154.98 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 10.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -108.94 -20.29 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 10.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -38.34 142.1 0.37 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.645 1.215 . . . . 10.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.76 170.6 15.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 10.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 96' ' ' VAL . 22.0 t -114.93 162.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 95' ' ' VAL . 46.4 t -141.91 122.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.319 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -109.84 110.09 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 10.0 109.227 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.37 179.918 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -137.44 172.58 12.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 10.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -112.57 119.65 38.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -115.2 150.05 36.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.963 HG11 ' CD1' ' A' ' 16' ' ' PHE . 49.1 t -132.96 152.17 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -96.86 96.65 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 41' ' ' ILE . 11.4 mtt -34.47 -49.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 10.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.18 173.07 14.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' OG ' HG22 ' A' ' 15' ' ' VAL . 14.9 m -94.96 140.95 29.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.783 . . . . 10.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.6 -46.05 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -52.22 -70.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.073 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 58.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.9 -175.63 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 10.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.031 HD12 ' CE1' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -136.23 64.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 10.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' OG ' ' A' ' 9' ' ' SER . 24.6 m -121.32 137.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.963 ' CD1' HG11 ' A' ' 5' ' ' VAL . 71.3 t80 -92.26 106.23 18.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 10.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tp10 -126.15 137.03 29.39 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.92 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 141.08 70.65 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.996 0.025 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 t -42.07 -50.03 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.984 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.3 m -119.69 125.35 48.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 10.0 110.375 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.92 HG12 ' HG2' ' A' ' 18' ' ' PRO . 4.5 m -119.5 141.98 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.95 132.85 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.181 . . . . 10.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.778 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.19 164.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 10.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 22.1 mtmt -109.6 156.34 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.85 93.18 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 134.41 -27.3 3.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 10.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 76.9 mm-40 -73.95 -179.56 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 10.0 110.367 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.1 pm0 -134.5 175.65 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' ALA . 2.0 t -132.3 132.11 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -95.29 130.62 41.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 15.4 m-90 -114.8 100.23 8.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 10.0 107.988 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -87.7 137.57 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 57.6 t30 -86.37 100.43 12.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.64 -71.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 10.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -170.29 -172.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 10.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 65.13 65.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -81.52 161.51 61.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 10.0 109.974 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.96 -172.97 11.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.501 . . . . 10.0 110.983 -0.016 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -151.61 114.27 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.561 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -119.07 142.45 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 10.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.677 HG22 ' CE1' ' A' ' 43' ' ' PHE . 8.0 mt -126.11 71.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.06 137.24 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.237 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -108.46 127.09 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 10.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.44 175.24 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.95 70.49 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 10.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.99 70.17 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -20.12 41.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -101.32 152.2 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.21 149.32 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -57.7 -60.78 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -58.0 3.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 10.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.5 m -50.64 -37.92 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 110.395 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -66.89 -31.04 71.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.72 -20.79 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -38.24 17.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 10.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.841 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -88.61 -9.74 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.3 t -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 10.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 13.2 m-70 -103.89 99.47 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 10.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.04 34.0 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.24 -147.01 15.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 10.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.52 119.7 1.23 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 0.77 . . . . 10.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 33' ' ' ASN . . . -97.92 129.39 44.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 10.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -123.11 -70.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.11 142.27 39.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.12 80.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.34 -38.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 10.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.48 102.17 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 10.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 p -111.39 149.03 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 10.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.9 m-85 -100.78 170.07 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -146.63 141.48 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.48 ' HG ' ' HH2' ' A' ' 31' ' ' TRP . 5.4 p -137.62 127.52 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 110.038 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.545 ' O ' HD21 ' A' ' 56' ' ' LEU . 27.5 m -95.2 132.41 40.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 10.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.8 m-85 -100.0 98.36 9.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -42.01 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.62 125.09 60.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 89.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.83 -142.8 4.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 10.0 111.069 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -137.85 106.49 5.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 0.766 . . . . 10.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.841 ' CD2' HD12 ' A' ' 56' ' ' LEU . 77.4 m-85 -90.51 138.97 31.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 10.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.7 m -126.9 145.07 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' A' ' 16' ' ' PHE . 9.9 p90 -146.19 -179.52 6.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 10.0 110.975 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 5.2 p90 -164.28 140.12 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.7 t -97.64 24.98 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 108.312 179.97 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.48 171.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 110.357 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 61.0 5.52 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.502 1.791 . . . . 10.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 1.031 ' CE1' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.83 76.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' GLY . 1.5 mpt_? 65.91 -70.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.726 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . -36.67 -89.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 10.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -172.12 -68.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.76 104.21 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 10.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -48.62 -28.79 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 10.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.809 HG22 ' H ' ' A' ' 93' ' ' GLY . 2.9 p 44.11 -165.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.809 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 107.38 139.77 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 10.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 156.1 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.11 152.13 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.88 121.67 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 10.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.778 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -95.69 135.63 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 109.364 179.923 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' H2 ' ' N ' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.63 132.38 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 10.0 109.361 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.34 163.1 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 14.8 t -144.35 166.84 23.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 10.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -144.79 156.59 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 10.0 109.356 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.99 132.22 56.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.503 ' SD ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -75.2 86.89 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 111.02 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 178.14 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 10.0 111.061 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.51 159.99 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 10.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -54.24 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -61.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.382 1.052 . . . . 10.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.88 47.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 10.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 151.3 41.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.344 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 pp -82.99 91.59 7.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 14' ' ' LEU . 15.1 m -157.95 127.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 36.9 m-85 -80.19 117.93 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.1 tp10 -135.86 131.77 19.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 10.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 134.08 34.3 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 10.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 70.1 p -53.83 -53.75 48.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 110.052 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -104.08 140.18 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 110.454 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.4 m -143.55 162.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.38 142.69 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.932 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -145.51 159.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 10.0 109.307 179.915 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.932 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -115.4 166.89 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 10.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.99 134.43 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 10.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.66 -19.2 34.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.558 1.161 . . . . 10.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.99 -179.25 4.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 10.0 110.262 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -138.57 170.78 15.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -128.87 162.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.7 ttmm -126.18 131.68 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 24.1 m-90 -118.53 99.74 7.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' HD3' ' A' ' 30' ' ' LYS . 54.1 t -93.01 139.78 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -84.06 138.63 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.399 1.062 . . . . 10.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -108.93 -61.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 10.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 -177.67 3.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mp 75.63 70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 58.6 p -96.54 151.27 37.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.6 Cg_endo -74.94 -173.7 12.76 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.023 -2.491 . . . . 10.0 110.99 -0.011 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.33 148.62 24.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 10.0 109.669 179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 14.1 t-20 -146.54 154.87 42.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 10.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.9 mt -131.51 61.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 10.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 54.5 t -74.83 134.82 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -104.4 142.45 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 10.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.31 152.81 20.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 10.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.29 76.76 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 10.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -105.27 98.88 8.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 10.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.32 -20.93 27.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 10.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.94 154.21 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.754 . . . . 10.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.02 156.13 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.7 -49.79 19.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -51.68 -64.21 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 10.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -43.42 -58.44 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.16 -37.98 56.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -53.77 -52.88 58.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -45.61 89.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.941 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -70.11 -12.53 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 10.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -80.01 121.91 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 10.0 109.906 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 12.5 m170 -74.43 103.15 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 10.0 109.664 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 40.08 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 10.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.79 -36.65 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 10.0 111.039 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.45 124.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 10.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -126.16 129.43 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 10.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.5 p90 -132.69 -43.52 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 10.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 113.64 18.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.0 109.273 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.45 126.23 9.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.42 -44.55 1.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 10.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.87 121.28 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 0.807 . . . . 10.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -130.48 135.08 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 62.4 m-85 -98.59 175.98 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 29' ' ' VAL . 88.1 m -145.58 152.31 39.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 10.0 110.395 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.5 m -130.36 164.1 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 10.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.609 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.7 m -133.0 123.05 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 10.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -103.37 98.54 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -76.8 -52.85 8.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 10.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.4 mt-10 -88.93 132.5 37.98 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.468 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.0 98.31 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 10.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.06 -139.49 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 m -145.42 102.12 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 10.0 110.448 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CE2' HD13 ' A' ' 56' ' ' LEU . 43.0 m-85 -85.61 157.27 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 63.2 m -134.57 145.79 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 10.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 7.4 p90 -147.04 167.96 22.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 10.0 111.024 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.7 p90 -163.15 -164.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 10.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 103.26 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 10.0 108.275 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.3 mt-10 -65.04 -51.23 57.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 10.0 110.327 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.95 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 10.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -39.59 118.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 10.0 109.561 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.49 96.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.673 1.233 . . . . 10.0 110.34 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -38.08 -69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.534 1.146 . . . . 10.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 41.36 39.57 1.04 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.509 0.77 . . . . 10.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.16 -129.35 5.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.45 1.093 . . . . 10.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.558 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 2.1 mtt 37.82 73.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 0.717 . . . . 10.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 93' ' ' GLY . 78.4 t -81.91 -90.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 59.93 125.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.585 1.178 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -136.86 156.55 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 10.0 109.197 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -104.21 146.87 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.24 132.77 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.233 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.633 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.5 t -103.86 169.6 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 10.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' H ' HG12 ' A' ' 97' ' ' VAL . 24.7 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -75.46 140.78 43.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 10.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.77 150.85 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 145.89 45.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 10.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.684 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 12.1 t -137.78 128.62 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 10.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 144.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.646 1.216 . . . . 10.0 109.242 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.558 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.92 75.4 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 10.0 110.982 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.83 -140.26 11.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 10.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.73 151.02 38.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 10.0 110.063 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -45.14 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 10.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -60.45 -63.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 10.0 109.986 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 10.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 36' ' ' LEU . . . -118.63 -173.42 2.47 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 0.752 . . . . 10.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 90' ' ' GLY . 2.1 pp -114.14 -48.3 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -44.69 134.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.684 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -75.35 139.95 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -144.72 127.65 8.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.577 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 134.02 34.06 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.066 -2.473 . . . . 10.0 110.997 -0.064 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 10.0 110.07 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -107.98 140.26 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG12 ' HG2' ' A' ' 18' ' ' PRO . 10.6 m -138.01 150.17 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.87 143.25 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.572 1.17 . . . . 10.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.9 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -138.78 152.88 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.204 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.9 ' H ' HD13 ' A' ' 23' ' ' ILE . 5.2 mttt -105.14 141.11 37.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 124.75 -16.99 7.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 10.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 72' ' ' THR . 1.1 mm-40 -75.32 -179.76 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 10.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.5 mt-10 -125.51 171.79 10.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 10.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.69 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.9 t -141.55 135.29 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -104.89 131.68 52.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 10.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.69 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 14.7 m-90 -116.97 99.2 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.99 147.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 10.0 109.209 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -84.09 125.8 32.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.31 -62.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 10.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.1 OUTLIER 179.95 -172.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 10.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 13' ' ' ALA . 11.0 mp 66.01 45.05 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 10.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.522 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.97 162.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.056 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.89 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.028 -2.488 . . . . 10.0 111.028 -0.162 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 1.7 m-70 69.38 100.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.589 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 2.9 m120 -106.02 171.09 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.1 mt -125.97 57.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.349 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 61.7 t -77.09 135.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 10.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 41' ' ' ILE . 8.4 m-85 -109.64 135.47 50.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 10.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.99 152.64 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 10.0 109.206 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.58 72.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 10.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.86 101.44 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.345 1.028 . . . . 10.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -40.85 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 10.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 49' ' ' ASP . 22.6 t -83.42 165.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 10.0 109.386 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.8 m-20 -63.21 156.84 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.199 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.82 -56.5 5.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 10.0 109.237 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.692 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -44.8 -59.94 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 10.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -48.53 -50.45 31.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 10.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.34 -29.44 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.307 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.23 -51.7 67.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.004 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -71.76 -11.26 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t -86.62 135.34 33.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 10.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 35.3 m-70 -109.32 100.1 9.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 10.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -94.3 39.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 10.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -121.1 139.23 13.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.449 1.093 . . . . 10.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.46 130.52 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.261 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.87 155.33 19.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 10.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 23.6 m-85 -156.71 -51.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 10.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -74.54 121.22 21.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.51 74.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . -171.94 -39.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 10.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.31 99.9 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 10.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.9 p -109.34 150.6 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 10.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -107.63 174.45 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 10.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.1 m -145.33 152.92 40.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 10.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' HD23 ' A' ' 56' ' ' LEU . 3.4 p -144.5 -179.92 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 10.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' GLU . 20.5 m -146.56 144.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 10.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -115.1 98.42 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 10.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 -46.88 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 10.0 110.427 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 126.44 68.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 10.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.484 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 84.4 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 10.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.49 -144.12 4.68 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 10.0 110.967 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -138.91 109.96 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 10.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 1.004 ' CE2' HD13 ' A' ' 56' ' ' LEU . 52.5 m-85 -90.94 160.93 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.4 m -141.96 150.3 41.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 10.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 24.2 p90 -144.62 157.78 44.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 10.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 2.0 p90 -167.41 117.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 35.1 m -49.59 131.35 21.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.5 -56.48 26.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 10.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.0 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 10.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 87' ' ' ARG . 0.3 OUTLIER 66.81 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 -179.93 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 85.72 63.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 110.345 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.17 -34.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.556 1.16 . . . . 10.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 64.16 96.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 10.0 109.411 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' A' ' 14' ' ' LEU . . . 134.55 93.25 0.45 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 10.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 38.5 ttp -127.41 -54.66 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 10.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 93' ' ' GLY . 7.1 t 71.98 169.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 119.19 121.66 3.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 10.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -144.91 164.35 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 10.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.19 157.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.48 127.78 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 10.0 109.426 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.4 t -94.97 118.15 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.098 . . . . 10.0 109.293 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.305 -0.628 . . . . 10.0 109.305 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -142.76 138.64 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 10.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.5 t -137.36 147.5 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 10.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.836 ' CG2' HG11 ' A' ' 21' ' ' VAL . 24.9 t -140.66 123.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 129.67 34.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.565 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 14.8 mtt -70.99 77.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 10.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.82 169.2 20.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 10.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.5 t -100.57 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 10.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -59.09 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -39.48 -50.65 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 10.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.89 59.04 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.65 165.01 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -63.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' H ' HG13 ' A' ' 15' ' ' VAL . 5.9 m -40.48 144.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CZ ' ' CE ' ' A' ' 91' ' ' MET . 20.7 m-85 -86.48 149.08 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.2 143.1 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.843 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 134.28 35.22 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 10.0 110.979 0.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.3 m -38.42 -51.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -114.94 138.23 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.8 m -136.52 136.27 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.63 138.74 39.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -141.16 161.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.4 mmtp -107.03 151.45 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 10.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -70.27 93.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.6 -17.67 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 10.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 47.9 mm-40 -74.71 176.28 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.2 mt-10 -122.85 163.67 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 10.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.0 t -125.75 160.42 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 10.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.8 ttpt -135.63 124.42 23.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 12.6 m-90 -109.59 99.51 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 10.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -80.3 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 10.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.418 HD22 ' HB1' ' A' ' 62' ' ' ALA . 6.7 t-20 -79.8 120.33 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 10.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.03 -57.44 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -177.4 -164.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 10.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 65.56 70.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.83 162.69 39.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 10.0 109.98 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HB2' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.03 168.9 76.06 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.001 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -178.72 166.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.55 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -152.03 175.42 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.638 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -118.76 96.51 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.8 t -93.56 131.25 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.638 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -108.48 137.44 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.08 153.08 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.35 79.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.98 -73.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.71 15.26 60.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.131 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 79' ' ' TYR . 57.5 t -133.0 166.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -64.36 157.76 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.57 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -40.85 -51.2 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 m -50.38 -67.66 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -43.42 -44.23 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -40.29 -67.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.11 -55.24 8.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 10.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -53.74 -26.04 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 p -78.14 122.7 25.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 10.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.482 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 42.1 m-70 -93.88 100.63 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 109.646 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 36.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.61 -136.73 9.43 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.959 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -175.35 107.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 10.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -95.79 128.53 42.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CE1' HD12 ' A' ' 61' ' ' LEU . 44.0 m-85 -123.15 -55.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.73 151.04 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 74.69 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.73 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 10.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -75.23 108.0 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.55 131.79 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 30.0 m-85 -83.7 179.29 7.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 10.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 29' ' ' VAL . 69.4 m -144.36 151.4 39.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 10.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.579 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.7 t -136.86 166.27 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.406 HG23 ' HG3' ' A' ' 28' ' ' GLU . 6.5 m -139.98 122.31 16.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.665 ' CE1' HD21 ' A' ' 56' ' ' LEU . 5.1 m-85 -100.93 98.85 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.63 -55.7 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 10.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 131.6 72.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 10.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.22 -144.74 4.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 10.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 95' ' ' VAL . 15.8 m -143.36 102.08 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 10.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 56' ' ' LEU . 61.7 m-85 -84.33 148.07 26.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.1 m -132.29 153.65 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 3.8 p90 -148.2 158.2 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -150.57 136.56 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.432 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 108.306 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.703 ' CE ' ' CZ ' ' A' ' 16' ' ' PHE . 44.0 mtm . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.444 0.164 . . . . 10.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.4 m -118.84 130.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.64 138.37 2.44 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 10.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -142.82 172.62 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.77 . . . . 10.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 78' ' ' THR . 40.1 t -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 95' ' ' VAL . 54.1 t -145.97 133.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -104.74 147.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 10.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.858 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -120.3 137.74 54.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 t -145.12 149.1 34.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.71 140.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.217 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -97.33 120.42 37.65 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.411 1.069 . . . . 10.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.765 ' HE1' HD11 ' A' ' 41' ' ' ILE . 71.6 mtm -70.02 79.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 10.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.55 -159.62 18.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 10.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.486 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 6.1 m -136.62 149.68 48.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 10.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -54.31 -59.04 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.11 -59.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 10.0 110.017 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.57 74.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.9 162.6 39.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 0.794 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -97.07 78.26 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 10.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.486 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 33.2 m -131.88 168.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 2.8 p90 -131.52 111.96 12.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 10.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.5 mt-10 -139.05 140.89 28.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.04 . . . . 10.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.832 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.14 134.37 35.6 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.996 -2.502 . . . . 10.0 111.006 0.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 3.3 t -38.53 -53.04 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 10.0 109.949 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 4.4 m -118.26 146.49 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.832 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.4 m -136.35 147.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 10.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.85 141.66 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 10.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.956 HD12 HG23 ' A' ' 29' ' ' VAL . 6.7 tt -145.3 157.83 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -93.44 171.63 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 10.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.71 85.97 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.097 . . . . 10.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 139.62 -11.64 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 10.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.84 -179.21 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 10.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.1 mt-10 -128.25 161.71 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 10.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.956 HG23 HD12 ' A' ' 23' ' ' ILE . 3.7 t -119.95 157.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.394 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 123.84 30.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.709 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.3 m-90 -112.98 99.87 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.8 135.19 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -80.66 112.48 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -77.32 -66.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 10.0 109.221 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.96 -166.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 HD21 ' A' ' 14' ' ' LEU . 4.3 mm? 65.74 61.01 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -84.4 160.92 55.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.07 174.23 53.82 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.966 -2.514 . . . . 10.0 111.055 0.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -142.61 146.63 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 10.0 109.609 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.409 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . 11.9 t-20 -145.48 145.69 31.18 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.577 1.173 . . . . 10.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.8 mt -123.97 68.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.377 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -81.78 145.54 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.809 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -120.8 128.09 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 10.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -83.02 146.55 28.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.397 1.061 . . . . 10.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -102.03 82.16 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.42 -65.47 0.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.495 1.122 . . . . 10.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.13 22.92 37.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -138.73 165.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.23 -179.38 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -62.22 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 10.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.7 -50.18 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 10.0 109.272 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.5 m -54.92 -66.62 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 10.0 110.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -47.2 -31.3 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.42 -55.84 28.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -52.77 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.861 HD22 ' CE2' ' A' ' 79' ' ' TYR . 7.7 mp -64.63 -17.69 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 10.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.2 t -84.7 128.18 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.5 m-70 -102.5 101.16 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -40.24 40.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 10.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.64 121.13 19.12 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.605 1.191 . . . . 10.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -79.74 151.05 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.729 . . . . 10.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.52 153.59 18.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 10.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -141.41 -60.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.92 128.35 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 10.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 86.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 10.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.13 -33.73 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 10.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.56 100.02 9.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 10.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 p -106.76 153.59 22.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 10.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.6 m-85 -106.59 173.29 6.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 10.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.0 m -144.38 150.92 38.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.441 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 20.3 p -139.73 165.99 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 10.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 m -123.14 130.36 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 10.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-85 -104.03 98.24 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 10.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -93.39 -42.97 8.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -78.84 120.49 81.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 64.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.28 -141.45 5.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 10.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 95' ' ' VAL . 3.1 m -140.56 117.6 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 10.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.861 ' CE2' HD22 ' A' ' 56' ' ' LEU . 60.2 m-85 -99.38 156.48 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.5 m -131.84 148.39 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 10.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -153.34 169.12 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.449 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -177.59 177.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 10.0 110.97 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 108.311 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.559 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.47 0.176 . . . . 10.0 110.954 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.56 HG23 ' H ' ' A' ' 93' ' ' GLY . 14.1 m -137.8 -58.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.56 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 58.71 156.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.505 1.128 . . . . 10.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 20' ' ' THR . 0.8 OUTLIER -144.2 156.32 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 78' ' ' THR . 2.2 t -119.7 157.42 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 10.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.0 t -136.98 117.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.594 1.184 . . . . 10.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 73' ' ' PHE . 8.9 t -75.15 160.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 10.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 35.9 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 p30 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.288 -0.634 . . . . 10.0 109.288 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.643 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -88.37 127.46 35.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 t -117.77 148.32 42.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 10.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 5.5 t -135.6 129.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 10.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.06 137.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.568 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 46.5 mtt -73.43 101.65 3.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 10.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.75 -140.56 15.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.579 1.174 . . . . 10.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.614 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.4 m -143.81 154.91 43.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 10.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.93 -53.94 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 10.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -58.38 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 10.0 109.947 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.41 80.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 10.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -136.07 165.58 25.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.386 0.698 . . . . 10.0 109.215 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 36' ' ' LEU . 1.5 mm? -92.19 -56.47 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 10.0 109.3 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.0 m -40.35 139.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 10.0 109.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 2.6 m-85 -77.61 141.03 39.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 10.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.0 tt0 -140.5 130.82 13.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.463 1.102 . . . . 10.0 110.371 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.96 133.42 31.32 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.017 -2.493 . . . . 10.0 111.009 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -49.01 -52.92 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -104.97 143.56 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.2 m -145.08 171.84 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 10.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.55 138.55 50.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 29' ' ' VAL . 1.4 tt -145.44 152.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.0 mttm -90.47 160.47 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.77 109.26 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 -17.75 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -74.28 179.65 4.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 10.0 110.239 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.3 pm0 -126.75 173.61 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 10.0 110.286 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.85 ' O ' HG23 ' A' ' 70' ' ' THR . 2.2 t -130.84 163.47 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 10.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 9.4 ttmt -133.19 130.38 39.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 5.8 m-90 -120.6 102.26 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -89.72 132.71 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -77.05 131.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -112.47 -67.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.087 . . . . 10.0 109.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -166.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 14' ' ' LEU . 4.5 mm? 63.93 68.76 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 10.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -125.0 161.26 50.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 10.0 109.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 171.44 68.11 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.998 -2.501 . . . . 10.0 110.967 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 2.9 p80 -176.6 132.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 10.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.4 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 3.9 m-20 -105.74 177.28 4.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.736 HG22 ' CE1' ' A' ' 43' ' ' PHE . 11.7 mt -134.0 66.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 t -79.67 130.51 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -101.22 130.89 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 10.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.74 148.45 28.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.25 79.9 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.589 1.181 . . . . 10.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.99 -74.04 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.15 4.2 85.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 10.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ASP . 34.0 t -120.54 164.08 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.45 0.735 . . . . 10.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . 37.4 m-20 -68.89 165.89 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.77 -70.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.267 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.788 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.36 -55.9 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -49.15 -61.0 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 10.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -55.23 -22.14 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 10.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.88 -29.71 66.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -88.35 -22.76 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 1.057 . . . . 10.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.832 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.94 -10.74 30.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.387 1.054 . . . . 10.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.0 t -88.57 140.65 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.1 m-70 -113.29 99.33 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.52 -37.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 109.198 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 116.4 131.99 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 10.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.97 34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 10.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' C ' ' CG ' ' A' ' 63' ' ' PHE . . . -106.41 136.66 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 10.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.468 ' CG ' ' C ' ' A' ' 62' ' ' ALA . 36.0 m-85 -158.61 -49.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 136.61 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.79 84.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.91 -36.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 10.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.69 133.33 37.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 10.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -129.11 146.3 51.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 10.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.492 ' HD2' HD12 ' A' ' 41' ' ' ILE . 22.1 m-85 -100.98 168.58 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 29' ' ' VAL . 29.4 m -145.01 149.76 35.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 110.386 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.9 t -141.09 141.27 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 110.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m -115.45 108.72 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 10.0 110.401 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.743 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.5 m-85 -84.34 99.65 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 10.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -79.37 -47.32 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 10.0 110.311 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.82 127.24 58.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 10.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.87 88.7 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 10.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.08 -141.58 4.2 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -141.99 100.57 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 56' ' ' LEU . 55.9 m-85 -82.65 151.34 26.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 25.0 m -131.14 144.38 51.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.497 1.123 . . . . 10.0 110.384 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 12.8 p90 -150.62 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p90 -160.29 -177.85 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 10.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.581 1.175 . . . . 10.0 108.277 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.491 ' CE ' ' CE2' ' A' ' 16' ' ' PHE . 3.9 ttt . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.53 0.205 . . . . 10.0 111.069 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.2 m -110.53 153.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.94 134.86 1.95 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.597 1.185 . . . . 10.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -135.99 164.83 27.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.567 0.804 . . . . 10.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.33 153.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 10.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.83 118.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.9 t -88.64 160.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ILE . 2.6 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 10.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 p30 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -103.25 136.11 43.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 10.0 109.38 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.8 t -126.99 145.61 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.89 142.38 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 10.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -96.44 104.55 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.551 1.157 . . . . 10.0 109.365 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.521 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -36.92 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 10.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.451 ' CA ' ' HB3' ' A' ' 34' ' ' ASN . . . -92.02 -150.59 26.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 10.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -144.65 163.97 32.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 109.972 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -40.95 96.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' GLY . 23.3 m -88.4 42.42 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 10.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 37.33 53.98 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -111.13 121.59 45.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 10.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 14' ' ' LEU . 1.9 pp -75.16 58.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.86 134.21 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 10.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 19' ' ' SER . 45.9 p90 -97.77 108.79 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.99 141.24 38.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 139.66 62.96 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.04 -2.483 . . . . 10.0 111.046 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 16.6 p -36.6 -48.19 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 10.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -122.44 151.15 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 10.0 110.353 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.679 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -138.2 144.21 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 10.0 109.328 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.746 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.3 p -86.49 143.73 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.856 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.38 171.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.678 ' O ' HD13 ' A' ' 23' ' ' ILE . 10.5 mmtt -117.28 145.57 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.375 1.047 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 97' ' ' VAL . . . -62.4 100.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 10.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 121.29 -15.45 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 10.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -74.89 -179.55 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -125.55 162.13 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 10.0 110.237 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.652 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 7.1 t -130.3 133.29 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.85 129.66 53.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 10.0 109.35 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 7.1 m-90 -116.13 99.28 7.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.048 -1.094 . . . . 10.0 108.048 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.54 135.84 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -78.34 99.72 6.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.61 1.194 . . . . 10.0 109.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -68.98 -60.03 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -174.78 -166.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.34 70.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 10.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.5 m -95.85 160.23 30.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 109.964 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 -60.25 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.961 -2.516 . . . . 10.0 110.963 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 0.0 OUTLIER 60.48 145.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 10.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.678 ' ND2' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -136.22 175.66 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 10.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.686 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.1 mt -123.24 83.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.678 HG23 ' ND2' ' A' ' 40' ' ' ASN . 59.0 t -86.0 132.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 10.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.686 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -105.61 133.49 50.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 10.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.74 160.1 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 10.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.78 78.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.48 -68.26 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.31 12.09 61.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 10.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -127.65 158.8 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 10.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.99 174.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.07 -70.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 10.0 109.373 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.36 -49.72 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -50.24 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 10.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -47.55 -58.0 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -38.67 -52.3 1.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 10.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -52.94 62.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.6 1.187 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.911 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -67.79 -9.61 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 p -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 10.0 110.026 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.9 m-70 -82.88 102.2 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 10.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -92.15 27.97 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 10.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 150.42 16.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.601 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mp -109.54 123.27 49.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 10.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -84.2 160.54 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 10.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' LEU . 28.4 m-85 -144.32 -47.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.26 33.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 10.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.01 51.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.22 -38.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.59 141.58 48.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 10.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 p -136.38 149.03 48.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 10.0 110.068 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -101.34 172.28 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.37 1.044 . . . . 10.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.9 m -145.73 151.74 38.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.385 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.8 p -145.2 179.97 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 10.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.589 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.4 m -144.7 140.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 10.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -112.94 98.1 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 10.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -83.42 -25.45 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -99.5 122.4 51.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 10.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 80.32 2.47 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.542 1.811 . . . . 10.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.27 -140.12 3.78 Favored Glycine 0 CA--C 1.528 0.864 0 O-C-N 124.541 1.15 . . . . 10.0 111.026 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.0 m -140.61 111.47 6.99 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.398 0.705 . . . . 10.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.911 ' CE2' HD13 ' A' ' 56' ' ' LEU . 25.9 m-85 -88.8 160.16 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -142.85 152.55 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CD2' HG23 ' A' ' 41' ' ' ILE . 29.0 p90 -148.58 154.94 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -144.48 125.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.418 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 96.1 mtp . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.562 0.22 . . . . 10.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.537 ' O ' ' CE2' ' A' ' 81' ' ' TYR . 92.2 t -151.21 -76.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.06 . . . . 10.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.72 150.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 10.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 161.76 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 10.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' THR . 10.7 t -118.52 158.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 10.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' ILE . 87.0 t -139.66 132.45 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.856 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.0 t -110.24 116.08 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.359 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.56 160.36 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 10.0 109.418 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -140.56 148.85 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.675 ' CG2' HG11 ' A' ' 21' ' ' VAL . 37.3 t -137.28 145.74 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.645 1.216 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 145.83 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 10.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.54 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 23.6 mtt -75.04 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 10.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 160.12 21.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 10.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -81.1 141.81 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 10.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -46.52 -47.15 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 10.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.2 t -48.37 -46.6 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 10.0 110.1 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.63 92.6 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 10.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.76 171.94 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 10.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD23 ' SD ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -91.97 53.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 10.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.25 127.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 10.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 37.6 m-85 -81.25 114.24 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -123.49 141.08 35.41 Favored Pre-proline 0 N--CA 1.45 -0.456 0 O-C-N 124.442 1.088 . . . . 10.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 134.82 37.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.954 -2.519 . . . . 10.0 110.991 0.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.419 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 p -56.37 -48.31 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.934 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -104.84 136.69 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.079 . . . . 10.0 110.393 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 5' ' ' VAL . 26.9 m -145.44 141.52 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 10.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.664 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.33 155.97 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 10.0 109.437 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.661 ' N ' HD13 ' A' ' 23' ' ' ILE . 5.1 mttp -103.03 143.19 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.548 1.155 . . . . 10.0 109.332 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 102.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 10.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.12 -14.55 9.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 10.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -179.64 7.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 10.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 29.7 mt-10 -121.53 164.29 17.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 10.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 HG13 ' A' ' 23' ' ' ILE . 2.3 t -133.52 129.87 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 129.07 53.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 10.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.5 m-90 -113.95 99.49 7.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 10.0 108.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.12 148.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -85.81 145.65 27.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.99 -68.81 0.89 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.105 . . . . 10.0 109.235 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -177.51 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.55 68.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 10.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 24.9 p -96.02 151.6 38.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.97 -169.01 6.95 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.068 -2.472 . . . . 10.0 110.977 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.91 118.29 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.585 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.7 OUTLIER -116.58 137.96 51.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.36 1.038 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.646 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -123.54 76.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.9 t -83.12 129.21 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -102.8 127.51 49.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 10.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 162.82 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.625 1.203 . . . . 10.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -118.59 73.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.0 -83.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.75 63.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 10.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 49' ' ' ASP . 12.3 t -121.38 169.73 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 10.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.489 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.53 167.76 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 10.0 109.24 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 -46.87 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 10.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -53.16 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 10.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.1 m -53.41 -39.35 64.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 10.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -78.75 -27.44 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.8 81.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.232 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -79.52 -28.96 41.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.962 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -92.42 -2.58 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.7 t -96.14 124.79 40.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 10.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 11.4 m-70 -101.45 100.84 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -42.98 -35.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 40' ' ' ASN . . . 111.01 124.67 4.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 10.0 111.054 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -171.74 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.779 . . . . 10.0 109.237 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.68 127.67 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.7 p90 -156.13 -47.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.22 109.06 17.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 10.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.1 101.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.85 -36.13 0.5 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.524 1.14 . . . . 10.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -81.89 123.91 29.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 10.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 m -131.35 146.09 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.939 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.471 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 4.8 m-85 -103.62 172.25 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 26.9 m -145.19 156.13 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.439 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 p -145.12 176.94 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 110.002 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 m -146.04 113.56 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.3 m-85 -89.14 98.45 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 10.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.02 -54.15 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.87 128.75 75.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.574 1.171 . . . . 10.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 87.45 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 10.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 -150.27 5.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 10.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 m -134.35 105.77 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 10.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.962 ' CE2' HD13 ' A' ' 56' ' ' LEU . 36.8 m-85 -83.25 154.12 24.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.15 . . . . 10.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 m -136.94 139.44 41.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 25.1 p90 -140.5 153.97 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 10.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 1.8 p90 -141.09 161.2 38.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 10.0 108.319 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.608 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 6.0 mtt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.495 0.188 . . . . 10.0 110.965 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 93' ' ' GLY . 75.1 t -75.25 -91.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 10.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.32 124.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 10.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 151.82 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 10.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.67 154.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.5 t -134.09 125.6 48.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 109.199 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.446 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -96.47 156.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.405 1.066 . . . . 10.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 10.0 109.244 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -144.35 138.37 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 10.0 109.294 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 3.5 t -123.28 169.31 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 1.203 . . . . 10.0 110.445 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 86.1 t -145.15 161.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 5' ' ' VAL . 6.3 mttt -120.06 143.41 48.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 10.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.693 ' CE ' HD11 ' A' ' 41' ' ' ILE . 33.1 mtt -81.19 95.78 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.51 -130.58 8.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 10.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -144.93 167.24 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 0.81 . . . . 10.0 109.936 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -7.37 47.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -59.34 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.25 82.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 10.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.19 169.31 17.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 10.0 109.402 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.5 mt -80.67 -51.34 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -44.53 146.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 10.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 3.0 m-30 -99.62 147.04 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tm-20 -143.87 136.67 13.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 110.323 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.99 153.04 98.95 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.933 -2.528 . . . . 10.0 111.004 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -72.84 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.939 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.4 m -117.36 143.74 45.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 10.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.9 145.62 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 137.3 33.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 10.0 110.357 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -142.95 160.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 10.0 109.364 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -110.06 160.84 16.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 10.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 102.82 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.084 . . . . 10.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 -20.43 7.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 10.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.81 -179.22 4.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 10.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.7 pm0 -134.97 171.3 14.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -134.46 150.04 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 3.7 ttpt -114.15 137.8 51.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 10.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.618 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.6 m-90 -124.31 100.8 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.919 -1.141 . . . . 10.0 107.919 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.43 137.91 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 10.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' ' HE3' ' A' ' 7' ' ' MET . 27.7 t-20 -80.65 125.13 29.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 10.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' SER . 42.2 t30 -88.84 -66.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.75 -166.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' SER . 0.8 OUTLIER 63.96 33.07 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.208 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -40.98 162.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.1 -48.47 0.27 Allowed 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.991 -2.504 . . . . 10.0 111.02 0.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.4 m-70 67.11 115.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 10.0 109.659 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.65 172.76 7.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 10.0 109.212 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mt -123.55 63.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -79.42 139.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.797 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -114.32 128.59 56.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 10.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.69 154.42 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 10.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -110.81 78.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.84 -69.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.058 . . . . 10.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.64 -1.11 83.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 10.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 49' ' ' ASP . 3.4 t -121.42 168.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.769 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -69.1 155.01 41.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -65.51 -56.31 13.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 10.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -51.09 -59.43 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -47.91 -58.42 4.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 10.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -51.45 -32.44 26.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.56 -41.48 98.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -54.39 30.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 10.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -67.05 -17.68 65.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 t -75.57 132.81 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 58.1 m-70 -106.46 100.95 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 10.0 109.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -78.76 -35.82 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.78 149.25 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.424 1.078 . . . . 10.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -97.14 126.79 42.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 0.725 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -102.47 128.31 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 10.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 67.8 m-85 -127.31 -64.57 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.401 1.063 . . . . 10.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.55 142.94 38.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 69.39 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 10.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.04 -42.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.08 99.78 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 10.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.2 p -107.67 150.25 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 10.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 12.3 m-85 -112.17 175.73 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.9 m -145.31 153.73 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.277 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -144.98 134.91 23.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.5 m -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 10.0 110.442 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.751 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.9 m-85 -88.22 97.96 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 10.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.08 -16.68 37.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.18 124.57 33.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.12 84.36 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.554 1.818 . . . . 10.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.47 -150.17 5.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 10.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 m -129.58 118.39 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 0.816 . . . . 10.0 110.306 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 56' ' ' LEU . 64.9 m-85 -100.48 144.4 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 10.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 m -131.32 140.95 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 10.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 17.3 p90 -132.63 155.28 49.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -156.4 161.55 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 10.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.543 ' HB2' ' HE3' ' A' ' 91' ' ' MET . 1.5 m . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 10.0 108.203 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 16' ' ' PHE . 12.8 mtm . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.512 0.196 . . . . 10.0 111.014 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.53 123.8 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 10.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.59 131.75 1.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -144.91 147.38 32.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 10.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.83 162.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.4 t -141.53 120.64 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 10.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -97.33 121.81 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -88.03 148.11 24.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 15.3 t -139.24 150.49 45.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 10.0 110.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.97 128.38 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -83.18 125.49 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.623 1.202 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.606 ' SD ' HD11 ' A' ' 41' ' ' ILE . 33.0 mtm -73.5 85.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 10.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.54 171.7 18.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 5.7 m -97.66 147.77 24.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 10.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -47.04 -62.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.99 -54.82 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 109.95 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 71.03 0.1 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.559 1.162 . . . . 10.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.49 146.32 49.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 0.802 . . . . 10.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.93 75.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 10.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 17.8 m -137.4 179.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.628 1.205 . . . . 10.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -145.18 114.19 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.392 1.057 . . . . 10.0 111.052 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.3 139.1 14.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.568 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.07 141.8 72.78 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.986 -2.506 . . . . 10.0 111.001 0.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -62.65 -40.36 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -120.59 140.34 51.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 10.0 110.366 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' PRO . 29.6 m -138.35 151.49 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 10.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.32 140.3 29.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 10.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG23 HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -145.11 159.15 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 109.298 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -104.13 156.71 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -71.45 100.9 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 10.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.13 -14.76 8.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 10.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -75.2 179.1 5.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 0.754 . . . . 10.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.946 ' HG3' HG23 ' A' ' 72' ' ' THR . 1.5 mt-10 -128.55 165.71 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 10.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 70' ' ' THR . 2.9 t -128.42 162.74 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 10.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -134.58 125.99 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 10.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.53 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -114.81 99.55 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 10.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.67 143.78 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -76.97 138.9 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -108.55 -69.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 10.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.98 -175.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 10.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp 65.6 70.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.362 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -88.54 160.43 44.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.1 -174.6 14.44 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 10.0 110.964 0.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.03 128.54 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' ' N ' ' A' ' 40' ' ' ASN . 1.1 m-80 -137.16 142.0 42.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -117.01 72.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 74.3 t -82.65 134.82 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.238 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.4 m-85 -110.63 123.19 49.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 10.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.757 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.64 155.48 31.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 10.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.94 77.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 10.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -80.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.01 7.85 78.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -126.1 160.95 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.422 0.719 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 157.76 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.14 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 10.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -62.58 -55.54 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.632 1.208 . . . . 10.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -48.29 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 110.422 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.7 -28.17 69.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.45 -42.49 82.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 10.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -30.85 65.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 10.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -90.33 -5.88 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 10.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.5 t -93.3 117.44 30.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 21.5 m-70 -92.57 103.62 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 10.0 109.52 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -97.98 36.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.302 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.18 169.75 13.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.65 125.22 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 10.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.49 120.07 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 10.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 27.8 p90 -143.86 -45.08 0.27 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.634 1.209 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.07 102.07 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 109.22 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 111.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.93 -32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.567 1.167 . . . . 10.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -92.7 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 10.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 159.81 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.988 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 8.6 m-85 -117.95 171.22 8.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 10.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.5 m -145.29 154.77 42.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 10.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 56' ' ' LEU . 2.5 p -141.11 179.62 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.946 HG23 ' HG3' ' A' ' 28' ' ' GLU . 2.1 m -144.76 120.68 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.5 m-85 -95.2 98.55 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 10.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 m -88.32 -26.59 22.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 121.44 61.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 10.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.95 79.71 2.58 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.488 1.783 . . . . 10.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.0 -138.83 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.095 . . . . 10.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -142.56 108.19 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 10.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.83 ' CE2' HG11 ' A' ' 48' ' ' VAL . 43.4 m-85 -87.27 157.14 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 10.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -133.64 152.09 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 10.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 41' ' ' ILE . 26.9 p90 -159.09 169.28 24.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.757 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -168.17 -176.6 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 10.0 110.946 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 10.0 108.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.55 0.214 . . . . 10.0 110.951 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -174.98 -92.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.77 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 70.2 153.87 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 10.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.08 165.66 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 0.82 . . . . 10.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 96' ' ' VAL . 39.1 t -114.14 164.83 9.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.546 1.153 . . . . 10.0 109.259 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.461 ' N ' HG12 ' A' ' 95' ' ' VAL . 92.4 t -144.04 119.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.629 1.206 . . . . 10.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -92.58 156.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 10.0 109.354 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -142.71 154.2 44.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 10.0 109.364 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -142.17 154.99 45.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 10.0 110.447 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.955 HG22 ' HD2' ' A' ' 18' ' ' PRO . 84.3 t -136.57 139.42 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.54 140.69 30.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 10.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 41' ' ' ILE . 12.5 mtt -75.69 93.42 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 157.48 33.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.137 . . . . 10.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -79.83 148.38 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 10.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -41.68 -56.94 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 10.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -43.96 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 10.0 110.08 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.75 62.98 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 10.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.3 150.32 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 61.52 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 10.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' H ' ' A' ' 16' ' ' PHE . 2.1 p -152.45 -165.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.755 ' H ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-85 -141.57 151.71 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 10.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 mp0 -144.55 135.04 12.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 110.249 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.955 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.08 133.93 33.62 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.931 -2.529 . . . . 10.0 111.019 -0.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 8.0 t -38.02 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 10.0 110.022 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -126.75 136.7 52.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -134.04 162.17 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.58 140.33 32.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 10.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.691 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.1 151.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 10.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.61 166.07 11.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 10.0 109.237 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.21 90.77 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.67 -28.16 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 10.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.74 -179.56 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.69 174.78 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.758 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 18.2 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 10.0 109.374 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 133.86 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 10.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.758 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.2 m-90 -122.29 99.64 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.0 132.77 31.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 10.0 109.23 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.09 127.65 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 10.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -106.33 -66.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -167.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.8 70.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 10.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -121.85 161.98 39.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 10.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 162.71 92.25 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.876 0.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -179.01 147.43 0.35 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.47 1.106 . . . . 10.0 109.554 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 5.1 t-20 -131.58 -174.48 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.3 mt -127.02 81.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 10.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 48.7 t -79.51 147.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 109.412 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -123.06 130.4 52.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.08 161.21 28.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.323 1.014 . . . . 10.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -129.16 74.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -79.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.78 88.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -117.48 160.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 10.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 161.51 11.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -73.78 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -49.25 -56.97 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 10.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -47.77 -57.02 6.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.42 -25.15 67.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.78 -53.85 34.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.51 -42.19 95.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.941 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.9 mt -74.25 -18.79 60.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 10.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.1 t -83.63 113.35 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 12.9 m-70 -75.1 102.45 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 10.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -21.25 19.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.14 90.63 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.58 1.175 . . . . 10.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -49.99 139.4 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 0.713 . . . . 10.0 109.373 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.63 162.6 14.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 10.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -143.67 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 10.0 111.061 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.645 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -84.2 125.51 32.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 10.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.0 79.55 1.19 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -174.36 -39.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 10.0 111.046 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.645 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 3.2 mp0 -78.42 104.61 9.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.531 0.783 . . . . 10.0 110.376 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -93.84 161.33 14.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 10.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.452 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 24.6 m-85 -115.25 171.82 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -145.35 150.24 36.23 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 10.0 110.362 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.2 p -145.22 128.9 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 10.0 109.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -100.19 136.65 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.626 1.204 . . . . 10.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 40.7 m-85 -115.25 99.57 7.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 10.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -85.44 -6.66 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 10.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -123.37 142.94 39.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.519 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.9 169.7 22.02 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.55 1.816 . . . . 10.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.8 174.76 13.9 Favored Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.602 1.189 . . . . 10.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 3.0 m -111.08 121.98 46.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 10.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.826 ' CE2' HG11 ' A' ' 48' ' ' VAL . 92.5 m-85 -103.22 160.39 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 94' ' ' LYS . 26.3 m -144.16 145.56 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 10.0 110.483 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 18.8 p90 -130.18 137.68 50.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 10.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 14.5 p90 -129.64 99.31 5.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 10.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.6 1.187 . . . . 10.0 108.229 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.506 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 24.3 mtt . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.579 0.228 . . . . 10.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 93' ' ' GLY . 2.1 p -83.04 -149.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.793 ' N ' HG13 ' A' ' 92' ' ' VAL . . . 100.6 132.76 7.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.392 1.057 . . . . 10.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 80' ' ' THR . 1.9 pttm -144.19 148.61 35.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 10.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' THR . 1.6 t -105.62 151.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.6 t -124.42 126.4 71.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.691 HG22 ' CG2' ' A' ' 23' ' ' ILE . 15.7 t -107.55 116.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.498 1.124 . . . . 10.0 109.405 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.254 -0.647 . . . . 10.0 109.254 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -109.29 113.44 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 t -119.29 160.65 21.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 10.0 110.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 16' ' ' PHE . 54.3 t -142.22 138.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 2.1 pttt -84.79 107.45 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 mtt -40.48 110.58 0.16 Allowed 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.44 1.088 . . . . 10.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LYS . . . 80.24 167.66 36.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 10.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -83.67 150.1 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.6 -56.19 12.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.88 -55.29 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 10.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.31 86.41 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.44 -171.52 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 10.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt -91.85 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -42.35 123.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.735 ' CD1' HG11 ' A' ' 5' ' ' VAL . 5.1 p90 -86.81 137.15 32.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 10.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.0 mt-10 -121.26 141.08 32.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 10.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.6 Cg_endo -74.91 131.92 25.78 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.977 -2.51 . . . . 10.0 111.078 -0.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 87.6 p -52.36 -46.47 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.3 m -115.88 130.06 56.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.694 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.9 t -128.33 169.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.422 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -115.36 140.15 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 110.411 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.706 HD12 HG23 ' A' ' 29' ' ' VAL . 7.9 tt -144.75 160.62 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -93.13 176.76 6.29 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.451 1.094 . . . . 10.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.07 96.75 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 10.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.94 -10.87 5.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 10.0 111.06 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -78.97 -179.41 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 10.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -127.83 163.48 24.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 10.0 110.26 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.706 HG23 HD12 ' A' ' 23' ' ' ILE . 12.2 t -124.0 157.54 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 10.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -131.46 130.06 41.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -120.71 99.34 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 10.0 107.998 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 p -92.89 144.11 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 10.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.11 127.31 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -100.7 -67.53 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 10.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.88 -170.06 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.86 62.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 9.8 p -86.12 152.65 56.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.1 -172.12 10.35 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.027 -2.489 . . . . 10.0 110.938 0.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.774 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -157.89 93.73 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 109.604 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -93.88 162.93 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 81' ' ' TYR . 3.6 mt -146.45 66.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 7.3 t -79.91 130.39 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.7 m-85 -101.71 138.58 38.5 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.374 1.046 . . . . 10.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.18 157.35 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.14 78.18 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 109.383 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -107.79 103.64 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 10.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.88 -40.62 3.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 10.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 49' ' ' ASP . 21.3 t -82.42 165.2 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 0.723 . . . . 10.0 109.251 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -62.67 167.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 10.0 109.379 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.54 -51.98 6.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.07 . . . . 10.0 109.232 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.82 -38.74 56.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 10.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 m -67.17 -59.23 3.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 10.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.74 -30.57 23.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 10.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -75.75 -25.03 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.848 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -96.0 0.23 51.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 10.0 109.37 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 t -94.84 130.83 41.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 3.6 m170 -108.76 99.77 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 109.584 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -40.11 -30.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 10.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' HIS . . . 108.35 -140.8 15.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 10.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.2 41.31 0.3 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 0.775 . . . . 10.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -108.51 107.98 18.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 10.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -139.59 -44.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 116.72 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 10.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.67 163.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 10.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.41 -40.71 3.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 10.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -84.51 103.14 13.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 0.751 . . . . 10.0 110.274 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.6 p -115.7 172.04 7.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 10.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -120.9 169.72 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 10.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' VAL . 85.5 m -145.74 149.44 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.2 p -145.78 141.34 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 10.0 110.039 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.2 m -99.98 130.48 46.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.932 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.4 m-30 -100.2 99.03 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 10.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -51.91 5.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 10.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.28 120.82 83.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.04 72.98 4.49 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.537 1.809 . . . . 10.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.52 5.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 10.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -136.3 108.46 7.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 10.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.848 ' CE2' HD13 ' A' ' 56' ' ' LEU . 67.7 m-85 -90.35 148.96 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -138.03 148.25 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 10.0 110.41 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.53 ' HE2' HG23 ' A' ' 95' ' ' VAL . 20.0 p90 -151.92 169.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 10.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 42' ' ' VAL . 4.1 p90 -136.27 167.04 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 10.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 108.305 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 22.8 ptm . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.513 0.197 . . . . 10.0 111.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.56 -165.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 10.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.53 126.45 4.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 10.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -145.31 179.39 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 81' ' ' TYR . 5.6 t -119.36 159.23 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.57 116.42 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 10.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.932 HG22 ' CD2' ' A' ' 73' ' ' PHE . 3.8 t -78.32 149.71 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 10.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 7.8 t70 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 10.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.251 -0.648 . . . . 10.0 109.251 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -81.22 155.22 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -146.64 164.89 31.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 10.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 21' ' ' VAL . 38.3 t -145.45 153.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -109.48 126.13 53.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.487 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 9.2 mtt -67.99 96.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.97 171.91 32.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 10.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -77.35 173.05 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 10.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -5.38 59.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 10.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -102.19 -55.58 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.949 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.97 72.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 10.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -131.47 -179.31 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 10.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.86 -61.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 10.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -43.15 138.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 7' ' ' MET . 4.8 m-30 -86.51 149.15 25.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 10.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.8 tm-20 -139.44 129.84 14.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 132.8 28.78 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 121.04 -2.484 . . . . 10.0 110.975 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.411 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.4 p -51.01 -53.42 33.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 109.935 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -105.96 141.49 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 10.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 5' ' ' VAL . 33.1 m -145.21 141.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.69 140.64 29.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 10.0 110.332 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.807 ' CG2' HG22 ' A' ' 97' ' ' VAL . 2.2 tt -135.84 153.18 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 10.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 23' ' ' ILE . 4.7 mmtt -90.69 165.16 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 10.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 120.27 18.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.13 -20.73 35.01 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.546 1.154 . . . . 10.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.435 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.0 mt-10 -75.39 179.11 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.804 . . . . 10.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' OE1' HG21 ' A' ' 70' ' ' THR . 0.5 OUTLIER -133.74 178.41 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 10.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.5 t -128.49 133.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -105.22 121.41 43.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 10.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.741 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 19.0 m-90 -106.73 99.69 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 10.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -88.4 130.75 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -78.86 99.96 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 10.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -77.25 -63.17 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.586 1.179 . . . . 10.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -168.04 2.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 10.0 109.333 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.9 mm? 61.47 66.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 109.22 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 11.6 p -99.0 152.33 37.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 10.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.066 -2.472 . . . . 10.0 111.039 -0.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.82 132.21 7.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.517 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -127.67 121.75 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.726 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.4 mt -100.1 77.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.378 1.049 . . . . 10.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 43.4 t -83.89 146.98 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.726 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.4 m-85 -122.11 133.74 54.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 10.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.3 154.17 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.294 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.12 76.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.4 26.15 9.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 10.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -142.82 163.06 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 0.774 . . . . 10.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.14 175.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.06 -44.77 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -43.94 88.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -67.86 -52.96 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.433 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.57 -29.71 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 10.0 109.165 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.81 40.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 10.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.28 -50.69 72.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 10.0 109.379 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.179 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 4.9 mt -68.4 -14.27 62.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 10.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 7.2 t -87.94 103.85 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 10.0 110.026 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.2 m-70 -75.39 103.1 5.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 10.0 109.549 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -93.48 35.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.13 -167.36 14.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.45 120.72 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.78 126.46 34.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.96 -66.84 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -75.13 135.74 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.08 90.74 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 10.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.68 -33.02 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.58 1.175 . . . . 10.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -83.47 100.86 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 10.0 110.264 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.4 p -105.63 155.32 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.435 1.084 . . . . 10.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.2 m-85 -108.72 173.06 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 10.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.507 HG21 ' OE1' ' A' ' 28' ' ' GLU . 8.0 m -144.76 149.13 34.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 10.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.733 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.1 p -145.0 127.01 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 10.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -102.73 141.96 34.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 10.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.179 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 54.1 m-85 -120.07 99.38 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -0.78 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -135.9 133.08 19.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 10.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -75.03 151.03 38.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 10.0 111.007 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.25 -149.19 15.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 10.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m -145.16 102.28 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 10.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.745 ' CE2' HG11 ' A' ' 48' ' ' VAL . 87.7 m-85 -94.01 162.18 13.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.9 m -138.75 144.14 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 10.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 p90 -138.45 152.34 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 10.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 8.1 p90 -144.78 165.11 29.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 108.368 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.429 ' C ' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.507 0.194 . . . . 10.0 110.993 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' GLY . 91.3 t -42.78 -28.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 91' ' ' MET . . . -35.82 123.93 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 10.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -142.47 179.07 7.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 10.0 109.319 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.61 159.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.03 100.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.807 HG22 ' CG2' ' A' ' 23' ' ' ILE . 4.9 t -85.99 131.42 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 10.0 109.357 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.314 -0.624 . . . . 10.0 109.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -142.05 146.71 35.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -139.34 143.8 37.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 10.0 110.415 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.727 HG22 ' HD2' ' A' ' 18' ' ' PRO . 21.9 t -125.48 162.75 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 10.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -110.85 116.5 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 10.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.774 ' HG2' HD11 ' A' ' 41' ' ' ILE . 33.6 mtt -36.57 -63.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 10.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.37 158.91 15.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -78.91 165.35 23.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 10.0 109.965 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -39.6 -50.67 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -100.83 45.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 10.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 38.77 61.98 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 10.0 111.06 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -96.37 169.11 10.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 10.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.738 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.6 mm? -75.38 -172.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 10.0 109.309 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 14' ' ' LEU . 6.5 m 50.16 -179.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 10.0 109.389 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -130.4 152.36 49.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.97 137.17 20.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.552 1.157 . . . . 10.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.833 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 138.54 56.66 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.968 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -35.06 -52.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 10.0 110.065 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.6 m -125.44 149.02 48.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.833 HG12 ' HG2' ' A' ' 18' ' ' PRO . 19.6 m -134.46 164.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 10.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.5 139.31 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 10.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.941 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -143.88 151.97 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.885 ' H ' HD13 ' A' ' 23' ' ' ILE . 6.7 mmtt -109.23 163.93 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 10.0 109.374 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.51 87.48 3.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 10.0 109.367 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.15 -29.63 1.65 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.118 . . . . 10.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.85 -179.54 6.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 10.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -135.41 176.48 8.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 10.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.587 ' HB ' ' CH2' ' A' ' 31' ' ' TRP . 79.5 t -126.62 147.88 31.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -112.52 133.79 54.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 10.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CH2' ' HB ' ' A' ' 29' ' ' VAL . 21.6 m-90 -122.27 101.42 7.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.2 139.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 10.0 109.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.36 108.76 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.01 -76.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 10.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 179.34 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.99 63.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 28.4 p -86.76 151.5 52.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 10.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 -170.55 8.37 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.997 -2.501 . . . . 10.0 110.969 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.63 153.53 28.71 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 10.0 109.549 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.427 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 1.9 m120 -153.18 155.83 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 10.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.774 HD11 ' HG2' ' A' ' 7' ' ' MET . 20.3 mt -135.9 61.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.73 130.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 10.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.1 m-85 -97.02 144.99 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 10.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.45 131.95 44.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 10.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -107.55 85.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -69.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.11 4.07 82.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 10.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 79' ' ' TYR . 18.0 t -119.5 168.45 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.461 0.741 . . . . 10.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -69.72 142.35 53.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 10.0 109.226 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -69.08 -41.51 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.626 1.204 . . . . 10.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -58.86 -68.26 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.408 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -48.26 -39.54 21.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.325 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -71.78 -28.91 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 10.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -56.37 -57.55 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.086 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 10.6 mt -84.84 -7.07 59.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 10.2 p -90.68 122.36 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 14.7 m-70 -100.08 101.44 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.79 -26.47 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 10.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 40' ' ' ASN . . . 98.03 -135.62 12.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 10.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 79.44 41.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 10.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.74 117.97 35.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 54.8 m-85 -121.49 -56.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.387 1.054 . . . . 10.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 140.01 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 10.0 109.176 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.56 73.52 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.36 -41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.444 1.09 . . . . 10.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.32 104.25 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 10.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.3 p -105.98 159.02 16.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 16.1 m-85 -115.85 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 10.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 45.3 m -145.07 150.71 37.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 10.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.723 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.6 p -145.29 133.68 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.434 ' O ' HD21 ' A' ' 56' ' ' LEU . 1.5 m -107.64 142.38 37.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.086 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 52.2 m-85 -120.58 100.27 7.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.96 -29.47 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 13.1 mm-40 -102.86 143.58 26.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 10.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.3 Cg_endo -75.0 164.9 32.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 10.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.7 16.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 10.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' VAL . 32.0 m -112.79 137.18 51.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 10.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 48' ' ' VAL . 89.2 m-85 -119.84 163.69 17.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 10.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 m -142.58 141.61 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.325 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.636 ' CD2' HG23 ' A' ' 41' ' ' ILE . 34.6 p90 -142.84 161.52 37.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 10.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 94.1 m . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 10.0 108.336 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.8 mtm . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.432 0.158 . . . . 10.0 111.041 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.86 143.37 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.6 133.25 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 10.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -144.61 153.78 42.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 10.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 78' ' ' THR . 3.2 t -112.07 156.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 10.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 23' ' ' ILE . 66.9 t -129.55 117.56 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 10.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.941 HG22 ' CG2' ' A' ' 23' ' ' ILE . 21.2 t -100.79 101.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.179 . . . . 10.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.371 -0.603 . . . . 10.0 109.371 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -111.67 129.47 56.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 10.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 t -119.47 150.2 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 10.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.613 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.6 t -137.68 112.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.78 114.83 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.468 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 30.6 mtt -57.47 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 10.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' HB1' ' A' ' 13' ' ' ALA . . . 86.39 176.91 49.69 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.473 1.108 . . . . 10.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.396 0.704 . . . . 10.0 109.961 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 t70 -39.31 -42.12 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.774 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -37.87 -36.2 0.3 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.537 1.148 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . 68.1 118.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 10.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.3 tp -145.1 -61.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 16' ' ' PHE . 3.1 m -70.02 -157.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 6.1 p90 -145.14 129.52 17.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 10.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 13.0 tt0 -144.43 135.12 12.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 10.0 110.308 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.613 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.99 148.37 91.59 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.029 0.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 12.2 p -43.8 -42.83 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.945 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.7 m -138.6 162.81 33.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 10.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.691 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -142.01 137.6 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 10.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.46 129.25 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 10.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.676 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -126.21 162.05 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 10.0 109.272 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' H ' HD13 ' A' ' 23' ' ' ILE . 14.9 mttt -108.52 150.89 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 10.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 96.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 10.0 109.38 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.11 -23.11 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 23' ' ' ILE . 51.5 mm-40 -74.67 -179.68 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.392 0.701 . . . . 10.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -134.12 168.46 18.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 10.0 110.25 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.676 HG23 HG13 ' A' ' 23' ' ' ILE . 2.4 t -127.19 145.66 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 10.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 117.84 33.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.445 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 13.7 m-90 -101.65 100.09 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.01 145.68 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 10.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -86.97 101.0 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -66.76 -67.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -171.57 177.27 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 10.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 79.37 49.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 10.0 109.379 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 19.1 p -64.87 151.91 91.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 17.9 Cg_endo -75.06 -167.34 5.58 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.928 -2.53 . . . . 10.0 110.96 0.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.27 112.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 109.536 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 44.0 t30 -122.59 150.61 42.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.454 1.096 . . . . 10.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -125.84 78.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 13.3 t -83.6 132.86 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 4.4 m-85 -110.03 142.81 40.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 10.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 147.52 27.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 10.0 109.379 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 73.27 10.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.63 1.207 . . . . 10.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.15 100.31 11.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 10.0 109.225 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.38 -37.93 3.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 10.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.7 t -85.33 166.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 10.0 109.264 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.61 157.41 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 10.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.31 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.62 1.2 . . . . 10.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.806 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.71 -44.7 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -56.23 -52.57 63.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 10.0 110.43 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.44 -13.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.05 -60.68 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 10.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' HD23 ' A' ' 56' ' ' LEU . 3.9 ptpt -60.23 -38.08 82.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.27 -27.77 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -74.77 130.2 39.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 10.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 85.7 m-70 -105.41 101.0 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.345 1.028 . . . . 10.0 109.544 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.57 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.23 -31.45 5.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 10.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.96 124.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 10.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . . . -116.85 160.76 20.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 10.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -158.78 -44.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -77.73 107.59 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.216 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.36 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 10.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 164.74 -45.41 0.3 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.15 113.32 12.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.68 134.15 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 2.1 m-85 -89.22 177.55 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 10.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 m -145.22 145.26 31.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 10.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.478 ' HB2' HD22 ' A' ' 56' ' ' LEU . 1.4 p -139.19 134.2 32.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 10.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.535 ' O ' HD21 ' A' ' 56' ' ' LEU . 47.4 m -102.55 128.86 49.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.543 1.152 . . . . 10.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.4 m-85 -95.33 97.95 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 10.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -38.88 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 10.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.01 124.52 61.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 10.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.454 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.95 85.35 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 10.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.3 -148.09 5.1 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.626 1.204 . . . . 10.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -134.04 99.49 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 10.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 69.6 m-85 -80.54 146.64 31.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 10.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -126.32 147.6 49.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 10.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' VAL . 3.7 p90 -151.16 154.77 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.173 . . . . 10.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 40.5 p90 -146.16 119.49 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 10.0 110.98 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 10.0 108.28 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.587 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 ttt . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.44 0.162 . . . . 10.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 81' ' ' TYR . 13.4 m -132.17 -56.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.535 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 60.54 142.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 10.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -138.49 172.13 13.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 10.0 109.245 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.69 160.73 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.17 123.45 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.587 HG13 HG23 ' A' ' 23' ' ' ILE . 2.2 t -97.2 146.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 . . . . . 0 N--CA 1.454 -0.225 0 N-CA-C 109.353 -0.61 . . . . 10.0 109.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.821 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -113.4 107.49 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t -112.52 158.24 20.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 110.451 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -142.47 132.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -72.85 113.16 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.696 ' CE ' HD11 ' A' ' 41' ' ' ILE . 1.5 ttm -73.95 71.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 10.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.3 -174.29 15.59 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 10.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -85.58 169.18 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 0.721 . . . . 10.0 109.967 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.5 t70 -34.05 -47.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 10.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.23 89.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 10.0 110.07 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . . . 155.03 -68.04 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.142 . . . . 10.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.2 166.71 22.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.757 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.673 ' HB2' HD13 ' A' ' 36' ' ' LEU . 1.2 tt -119.57 88.52 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.88 154.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 10.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 91' ' ' MET . 3.2 p90 -126.05 100.87 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 10.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.6 mt-10 -138.4 142.63 35.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.02 133.54 31.88 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 10.0 111.037 0.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.443 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 5.1 t -43.63 -52.29 6.45 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.479 1.112 . . . . 10.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 m -115.27 141.36 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.349 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' HG2' ' A' ' 18' ' ' PRO . 33.2 m -133.25 168.06 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.202 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.92 128.97 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 29' ' ' VAL . 2.9 tt -126.43 154.9 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 10.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 23' ' ' ILE . 9.4 mmtt -86.49 164.85 16.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 10.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.47 73.64 7.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 10.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.47 -28.12 0.38 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 10.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' C ' HD11 ' A' ' 23' ' ' ILE . 31.4 mt-10 -74.96 -179.98 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 10.0 110.36 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CD ' HG23 ' A' ' 72' ' ' THR . 1.0 OUTLIER -130.69 178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 3' ' ' ALA . 17.4 t -125.79 141.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -113.08 117.03 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 10.0 109.249 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 11.0 m-90 -104.27 99.36 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 10.0 107.961 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 68' ' ' SER . 70.2 t -88.89 133.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 33' ' ' ASN . 20.7 t-20 -75.46 100.9 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -62.28 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.86 -172.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 14' ' ' LEU . 16.2 mt 66.21 69.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.227 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -87.84 155.36 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 10.0 110.1 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 -168.72 6.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.951 -2.521 . . . . 10.0 111.018 0.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.47 ' HE1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -158.95 130.12 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 10.0 109.594 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.471 ' CB ' ' HA3' ' A' ' 60' ' ' GLY . 1.9 m120 -125.76 163.8 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 81' ' ' TYR . 5.8 mt -148.53 69.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 10.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 t -80.09 134.7 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.4 m-85 -106.55 142.73 35.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.88 156.75 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.23 79.27 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -99.97 76.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 10.0 109.243 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -21.43 36.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 10.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -98.02 157.37 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 151.58 22.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.39 -53.16 20.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.221 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -46.26 -58.45 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -52.11 -42.06 62.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -65.7 -30.61 71.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -70.21 -23.59 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.62 -22.63 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.153 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 5.8 mt -104.96 2.99 30.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 10.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.5 t -96.72 113.31 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.9 m170 -90.49 103.76 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -25.33 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.246 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 93.28 -147.85 18.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.119 . . . . 10.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER 87.32 39.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 10.0 109.328 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.95 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 10.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.17 -63.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.79 140.34 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.89 50.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 10.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.18 -41.57 0.1 OUTLIER Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.516 1.135 . . . . 10.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.35 112.22 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 10.0 110.223 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.5 p -108.71 145.36 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.939 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -94.89 173.86 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 10.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.0 m -145.19 145.09 31.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.849 ' HB2' HD23 ' A' ' 56' ' ' LEU . 3.3 p -145.3 129.46 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 10.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.458 HG23 ' CD ' ' A' ' 28' ' ' GLU . 1.9 m -101.2 137.14 39.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 110.386 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.153 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 43.3 m-85 -119.32 99.47 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -20.4 32.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 10.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' OE1' HG13 ' A' ' 48' ' ' VAL . 31.6 tt0 -107.54 134.22 20.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.88 15.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 10.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.3 157.14 9.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.607 1.192 . . . . 10.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 96' ' ' VAL . 1.6 m -89.26 125.5 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 0.837 . . . . 10.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.678 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 87.9 m-85 -109.14 158.3 17.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 10.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.7 m -136.94 148.09 46.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 41' ' ' ILE . 41.5 p90 -151.82 153.61 34.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.75 -150.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' SG ' ' ND1' ' A' ' 39' ' ' HIS . 8.8 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 10.0 108.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.547 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.53 0.205 . . . . 10.0 110.951 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.801 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -152.56 -83.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 10.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.801 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 65.54 152.19 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 10.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.44 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 10.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 96' ' ' VAL . 18.1 t -94.58 164.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.516 HG22 ' OG1' ' A' ' 78' ' ' THR . 40.4 t -142.65 107.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.634 1.209 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 73' ' ' PHE . 2.4 t -92.96 117.95 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 10.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -93.99 151.78 19.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.646 1.217 . . . . 10.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 t -143.81 148.56 35.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.611 1.194 . . . . 10.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.486 HG22 ' HD2' ' A' ' 18' ' ' PRO . 9.0 t -134.96 161.93 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 10.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -114.52 126.17 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.536 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.7 mpp? -71.25 73.75 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 10.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.18 154.84 9.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 10.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.759 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -74.64 156.02 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 10.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.79 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 10.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 m -39.12 -57.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 10.0 110.057 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.06 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.545 1.153 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -137.67 173.69 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 10.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' A' ' 36' ' ' LEU . 1.1 pp -127.04 83.84 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.53 -171.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 92' ' ' VAL . 2.1 p90 -134.07 108.66 8.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 10.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.62 139.45 33.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.148 . . . . 10.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.01 138.25 54.98 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 111.032 0.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PRO . 83.7 p -37.56 -42.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -128.84 131.77 47.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.924 HG12 ' HG2' ' A' ' 18' ' ' PRO . 18.6 m -123.0 151.5 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 10.0 109.343 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -102.3 143.07 32.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.325 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.963 HG23 HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.56 145.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 10.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' O ' HD13 ' A' ' 23' ' ' ILE . 21.2 mttt -87.88 163.1 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.36 113.76 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.79 -31.4 5.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -74.42 -179.46 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 10.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.87 173.15 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.771 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 23.1 t -119.67 152.5 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 10.0 109.239 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.41 125.94 49.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.771 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 25.3 m-90 -116.39 99.47 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 10.0 108.0 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.6 148.68 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 10.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -87.45 130.95 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.17 -80.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 10.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.648 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -161.24 -178.55 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 35' ' ' LYS . 6.2 mp 66.05 67.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -83.33 160.69 59.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.993 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.07 -174.55 14.35 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.979 -2.509 . . . . 10.0 110.99 0.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.13 95.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.674 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.576 ' OD1' HG23 ' A' ' 42' ' ' VAL . 10.8 p30 -104.57 151.41 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 10.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.722 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -118.5 71.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' OD1' ' A' ' 40' ' ' ASN . 95.8 t -82.61 130.92 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.722 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.3 m-85 -103.44 141.1 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.17 141.22 32.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.89 76.69 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.0 104.39 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.67 3.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.604 1.19 . . . . 10.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.567 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.8 t -78.85 165.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.26 165.43 2.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 10.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -81.18 -67.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -40.08 -51.74 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -50.91 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -46.22 -53.84 9.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 10.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.97 -52.26 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 10.0 109.285 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.52 -57.4 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.085 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 3.9 mt -63.7 -12.65 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.644 1.215 . . . . 10.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.1 p -81.52 122.49 27.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.937 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 27.8 m-70 -90.4 102.2 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 10.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.52 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.68 -29.62 5.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 10.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.07 118.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 0.757 . . . . 10.0 109.389 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 63' ' ' PHE . . . -87.11 174.66 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 10.0 109.386 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' ALA . 55.4 m-85 -164.14 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.61 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.05 85.49 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 10.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -32.53 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 10.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.46 99.93 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.809 . . . . 10.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.83 153.43 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -113.79 174.31 5.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 23.7 m -144.49 152.45 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 10.0 110.481 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.591 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.5 p -145.44 133.39 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 10.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 138.52 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.085 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 37.7 m-85 -119.04 98.86 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 10.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.97 -25.61 40.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -107.59 131.77 21.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 144.89 30.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 10.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.73 -171.43 36.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 10.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.1 m -115.4 123.95 49.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 10.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.714 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 91.2 m-85 -111.8 164.02 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' GLY . 51.9 m -135.92 150.51 49.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' A' ' 41' ' ' ILE . 14.8 p90 -152.32 163.01 40.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.58 177.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.47 ' HB2' ' HE2' ' A' ' 91' ' ' MET . 41.9 m . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 10.0 108.308 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.47 ' HE2' ' HB2' ' A' ' 83' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.441 0.163 . . . . 10.0 111.054 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 4.7 m -152.42 125.83 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 10.0 109.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.493 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . -117.39 178.6 17.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -144.76 140.07 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 10.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.7 t -107.49 161.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 10.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 23' ' ' ILE . 77.8 t -132.58 120.82 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 10.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.963 HG13 HG23 ' A' ' 23' ' ' ILE . 1.8 t -115.02 134.69 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 10.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 10.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -130.22 132.63 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.232 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -138.85 148.81 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.2 t -139.2 149.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 10.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -103.68 121.35 42.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 10.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.491 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.1 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 10.0 110.963 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.53 151.14 11.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 10.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -82.29 138.05 34.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 10.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -42.61 -56.23 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 10.0 109.371 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -59.73 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 10.0 110.048 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.68 62.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 10.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.88 167.41 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 0.813 . . . . 10.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.66 53.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 109.31 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.44 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 10.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.499 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 50.8 m-85 -76.51 115.21 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 10.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 5.8 tt0 -127.93 136.14 28.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 110.362 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 138.47 56.28 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.994 -0.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -53.13 -49.21 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 10.0 110.034 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -104.53 142.3 34.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 10.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 2.8 m -143.17 146.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.537 1.148 . . . . 10.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -82.48 142.62 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 10.0 110.32 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.895 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -144.79 157.44 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.835 ' H ' HD13 ' A' ' 23' ' ' ILE . 1.1 mmtp -110.77 159.26 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.24 96.49 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 10.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.48 -15.33 8.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.411 1.07 . . . . 10.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' HB2' HD13 ' A' ' 23' ' ' ILE . 4.9 mp0 -74.8 -179.94 4.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 10.0 110.371 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 72' ' ' THR . 5.1 mt-10 -128.3 164.01 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 10.0 110.291 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 ' HB3' ' A' ' 3' ' ' ALA . 27.5 t -133.86 136.6 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 139.96 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 10.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.511 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 7.4 m-90 -123.1 99.76 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.5 t -86.4 136.48 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.07 139.46 36.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -111.29 -66.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.624 1.203 . . . . 10.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -161.46 -169.22 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 10.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.29 70.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 10.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 16.0 m -93.14 149.69 37.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 10.0 110.034 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.04 -166.45 4.9 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.964 0.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -156.38 118.65 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.609 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -121.11 142.27 50.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 10.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.0 mt -123.89 69.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.71 142.8 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.753 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -116.28 139.1 50.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.11 148.15 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.76 75.98 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.77 104.9 15.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.95 -41.99 3.13 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 49' ' ' ASP . 38.9 t -83.57 168.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 0.733 . . . . 10.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 48' ' ' VAL . 22.2 m-20 -62.67 170.97 2.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 109.364 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.32 -63.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 10.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.87 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 m-20 -45.39 -45.46 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -55.15 -64.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.418 1.074 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.66 -24.64 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.87 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.15 -62.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.402 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -56.95 -36.6 70.46 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.338 1.024 . . . . 10.0 109.274 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.18 -26.17 63.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 10.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 35.8 t -77.73 141.06 39.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 31.7 m-70 -105.26 99.67 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.172 . . . . 10.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -97.32 34.79 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.36 -130.8 6.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 10.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER 179.39 122.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 10.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.63 128.63 53.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -144.71 -45.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.352 1.032 . . . . 10.0 111.003 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 108.59 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 10.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.79 118.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.67 -40.08 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 10.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.23 104.79 5.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 0.745 . . . . 10.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.63 127.1 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 10.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 13.4 m-85 -88.78 176.94 6.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 10.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 59.5 m -144.87 159.02 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 10.0 110.353 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.541 ' OG ' HD13 ' A' ' 56' ' ' LEU . 6.1 t -144.8 147.14 32.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 10.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 28' ' ' GLU . 4.6 m -121.72 115.17 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -91.63 99.28 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.43 -27.32 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.36 126.7 35.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.458 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -74.99 87.61 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 10.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.88 -148.38 4.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 10.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.9 m -136.96 102.23 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 10.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.755 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 62.4 m-85 -83.56 147.45 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 10.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 m -123.36 143.81 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -144.34 149.48 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 10.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 20.3 p90 -153.74 121.36 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 10.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.288 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.499 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 5.0 mtt . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.516 0.198 . . . . 10.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 93' ' ' GLY . 6.2 t -105.15 171.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 145.97 138.33 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 10.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -144.6 158.82 43.6 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.464 0.743 . . . . 10.0 109.238 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -108.66 158.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.18 122.42 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 10.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.6 t -105.41 135.41 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 10.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 10.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.4 p30 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -88.24 152.51 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 t -145.8 157.41 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 10.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.57 ' CG2' HG11 ' A' ' 21' ' ' VAL . 34.5 t -145.49 144.84 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 10.0 109.223 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -96.26 127.18 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 10.0 109.272 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 1.025 ' SD ' HD11 ' A' ' 41' ' ' ILE . 18.9 mtm -64.66 90.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.59 -142.35 16.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 10.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.6 t -134.98 160.39 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 10.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -65.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -48.22 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.672 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . 123.13 56.72 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 10.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 178.18 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 10.0 109.29 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -75.13 -163.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 10.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.1 m 50.93 177.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 60.8 m-85 -125.82 141.37 52.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 10.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.73 130.45 18.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.94 135.54 40.97 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.038 -2.484 . . . . 10.0 111.055 -0.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 m -54.93 -51.78 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 10.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -108.84 138.84 44.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.57 HG11 ' CG2' ' A' ' 5' ' ' VAL . 20.5 m -142.09 145.71 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 10.0 109.335 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.91 138.68 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 10.0 110.41 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.912 HD12 HG23 ' A' ' 29' ' ' VAL . 8.3 tt -141.9 159.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.1 mmtt -95.95 161.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 10.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 87.01 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 10.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 144.3 -22.57 2.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 10.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.95 -178.53 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -129.52 173.84 10.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 110.309 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 23' ' ' ILE . 3.6 t -131.49 142.43 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 10.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -116.27 125.61 52.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.486 1.116 . . . . 10.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.3 m-90 -112.29 100.06 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.35 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 10.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.71 119.25 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' SER . 2.1 t-20 -85.23 -71.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.464 1.103 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.658 ' C ' HD23 ' A' ' 36' ' ' LEU . 16.0 tptt -167.2 -157.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 10.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.672 HD22 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 43.04 62.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 10.0 109.246 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.4 m -83.44 160.14 60.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.052 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.91 -172.56 10.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.032 -2.487 . . . . 10.0 110.992 -0.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.29 97.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 10.0 109.65 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.662 ' OD1' HD12 ' A' ' 61' ' ' LEU . 13.9 m-80 -93.47 146.22 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 10.0 109.38 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 1.025 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.68 81.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.01 147.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.85 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -125.31 131.51 53.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.38 160.21 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -120.73 75.83 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 10.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.72 -71.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 10.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.96 64.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.432 1.082 . . . . 10.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.09 154.05 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.491 0.759 . . . . 10.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.52 162.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.65 -46.15 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.633 1.208 . . . . 10.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -61.22 -45.67 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 m -61.21 -63.35 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 10.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -50.22 -38.0 38.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.098 . . . . 10.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -54.82 -51.88 64.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 10.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -53.77 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 73' ' ' PHE . 3.8 mp -64.55 -14.86 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 10.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 t -86.79 112.79 22.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 10.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.3 m-70 -80.76 104.39 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 10.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 35.57 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.92 -145.07 13.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 10.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.662 HD12 ' OD1' ' A' ' 40' ' ' ASN . 8.8 tp -162.1 124.68 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.746 . . . . 10.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.96 157.44 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 10.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 35.3 m-85 -154.74 -46.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 141.39 31.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 10.0 109.359 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.19 -43.45 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.386 1.054 . . . . 10.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -76.89 145.65 38.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 10.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -145.5 143.52 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 110.017 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.9 m-85 -96.13 172.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 10.0 111.015 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 18.6 m -145.52 146.78 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 10.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.531 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.7 p -144.43 124.92 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 10.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.7 m -86.9 125.66 34.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.945 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -93.94 98.55 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 10.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -93.07 -49.95 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -71.72 120.46 80.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 10.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.547 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.01 61.03 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 10.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.19 -142.68 6.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -143.03 106.49 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 10.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CD2' HD22 ' A' ' 56' ' ' LEU . 53.1 m-85 -87.16 152.86 21.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 95.2 m -131.81 149.62 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 10.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -147.59 152.33 37.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 10.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 3.7 p90 -158.43 110.42 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 10.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.431 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 1.6 t . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 10.0 108.228 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.595 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.512 0.196 . . . . 10.0 110.954 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.64 167.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.55 129.96 2.73 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.546 1.154 . . . . 10.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -143.98 170.61 15.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 10.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -124.88 158.17 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -135.53 114.9 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 10.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.945 HG22 ' CD2' ' A' ' 73' ' ' PHE . 11.8 t -74.39 152.87 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.0 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.29 -0.633 . . . . 10.0 109.29 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -100.6 136.22 40.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 10.2 t -132.54 146.36 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.501 HG22 ' HD2' ' A' ' 18' ' ' PRO . 5.0 t -136.77 138.2 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.2 pttp -82.64 52.81 2.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.661 ' HG2' HD11 ' A' ' 41' ' ' ILE . 24.8 mtt 37.2 -94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 10.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -70.71 -161.63 3.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 10.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -119.69 151.89 38.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 0.774 . . . . 10.0 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 10.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -41.91 -47.82 4.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 10.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.08 63.67 0.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.595 1.184 . . . . 10.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.83 139.41 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 10.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -75.2 76.57 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.782 HG13 ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -160.85 -163.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.782 ' N ' HG13 ' A' ' 15' ' ' VAL . 69.1 m-85 -137.85 135.69 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -136.06 136.23 22.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 10.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.862 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 137.25 49.28 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 10.0 111.046 -0.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' PRO . 3.2 m -35.27 -49.96 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 10.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -120.75 139.33 53.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 10.0 110.343 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.862 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.0 m -130.97 144.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.433 1.083 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.31 138.48 32.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 10.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.58 HD12 HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -145.87 152.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 10.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -93.68 157.21 16.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.94 114.26 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.98 -11.3 37.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 10.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.21 -179.31 4.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 10.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' HG3' HG23 ' A' ' 72' ' ' THR . 3.2 mp0 -128.82 163.07 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 23' ' ' ILE . 2.3 t -123.18 157.85 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' THR . 2.6 ttpt -131.17 128.26 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.9 m-90 -116.71 99.56 7.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 10.0 107.984 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -84.23 144.0 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.419 HD22 ' HB1' ' A' ' 62' ' ' ALA . 49.8 t-20 -83.44 134.91 34.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -121.12 -68.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -154.99 -168.62 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 60.98 69.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.634 1.209 . . . . 10.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -132.73 162.06 59.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 10.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.0 173.54 57.39 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.996 -2.501 . . . . 10.0 110.998 -0.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.477 ' O ' HD12 ' A' ' 61' ' ' LEU . 2.4 p80 -176.78 167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.9 p30 -140.97 168.6 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 10.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.0 mt -126.17 83.81 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 10.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 93.5 t -80.88 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -118.19 144.49 45.69 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 10.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.78 144.77 31.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 10.0 109.303 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.58 76.69 9.52 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 10.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -96.07 100.19 11.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 10.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -30.79 5.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 10.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' ASP . 25.7 t -94.21 163.45 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 10.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 48' ' ' VAL . 72.9 m-20 -58.75 164.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.52 -55.72 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.8 m-20 -46.95 -49.06 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -55.25 -62.32 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 10.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.74 -24.46 15.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -55.66 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -52.95 -43.12 66.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 10.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -74.68 114.45 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.9 m-70 -74.6 99.98 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 10.0 109.652 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.1 37.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 10.0 109.375 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.25 -146.73 7.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 10.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 63' ' ' PHE . 6.0 tp -172.79 124.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 10.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -104.7 144.31 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 40.1 m-85 -131.24 -58.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.73 130.31 38.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 10.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.73 90.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.47 -36.17 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.52 109.07 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 10.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.4 p -111.9 153.93 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 10.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 24.7 m-85 -104.69 172.72 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 84.9 m -145.29 154.31 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 110.432 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -141.15 174.8 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 10.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 28' ' ' GLU . 26.3 m -145.68 110.69 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 10.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.724 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.4 m-85 -89.5 98.73 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -60.62 2.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.401 1.063 . . . . 10.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.58 127.64 91.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.94 80.59 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 10.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.07 -146.66 5.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 10.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -137.15 117.67 13.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 0.808 . . . . 10.0 110.371 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 45.7 m-85 -97.04 160.0 14.59 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 10.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 94' ' ' LYS . 21.3 m -137.53 153.21 50.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 10.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 8.2 p90 -148.91 152.45 36.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 10.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -143.66 136.13 27.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 10.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.352 1.033 . . . . 10.0 108.311 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.7 mtt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.668 0.27 . . . . 10.0 111.04 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 93' ' ' GLY . 71.0 t -99.63 -95.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.298 0.999 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.82 135.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.586 1.179 . . . . 10.0 110.994 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 80' ' ' THR . 69.1 mttt -138.87 176.91 8.29 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.549 0.793 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 96' ' ' VAL . 58.2 t -123.12 165.91 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.502 ' N ' HG12 ' A' ' 95' ' ' VAL . 99.1 t -145.19 115.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 10.0 109.199 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.4 t -91.12 142.77 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 10.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 10.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -80.26 156.96 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -146.54 155.38 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 10.0 110.452 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.533 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.0 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 117.4 34.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.201 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -44.97 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 10.0 111.046 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.63 140.59 24.49 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.6 1.188 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.645 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.03 156.46 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 10.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.14 -39.15 81.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.72 40.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . 40.02 50.38 3.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 10.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -104.98 163.26 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 10.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.431 HD22 ' HE2' ' A' ' 91' ' ' MET . 18.6 mt -84.07 -59.76 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 109.225 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -41.16 128.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 10.0 109.225 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 72.1 m-85 -75.25 135.3 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 10.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.9 tt0 -134.21 131.69 20.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 10.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.03 132.41 27.47 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.006 -2.498 . . . . 10.0 110.97 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 79.4 p -51.39 -53.43 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 10.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -102.7 139.09 38.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 10.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG11 ' CG2' ' A' ' 5' ' ' VAL . 23.0 m -144.91 134.35 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 10.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -82.88 145.47 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.825 HD12 HG23 ' A' ' 29' ' ' VAL . 5.7 tt -145.79 158.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 10.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.45 161.53 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 10.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 104.31 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 10.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.24 -13.08 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 10.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.75 -179.35 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 0.702 . . . . 10.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -127.11 178.21 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 10.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.825 HG23 HD12 ' A' ' 23' ' ' ILE . 2.9 t -145.39 126.95 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -101.82 120.45 40.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.702 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 9.0 m-90 -103.99 99.78 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.3 t -91.42 143.57 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 10.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 119.42 32.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.63 1.206 . . . . 10.0 109.266 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -90.58 -62.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -172.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.6 mp 67.44 68.19 0.38 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.4 p -95.13 151.73 38.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.483 1.114 . . . . 10.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.94 -165.35 4.1 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 10.0 111.039 -0.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -165.93 121.8 1.3 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 10.0 109.623 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -122.1 137.88 54.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 10.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -109.88 69.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -81.36 140.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.8 m-85 -116.74 130.37 56.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.466 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -88.14 149.38 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -102.1 80.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -100.33 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.596 1.185 . . . . 10.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.56 9.37 64.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.2 t -129.78 162.99 36.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.565 0.803 . . . . 10.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.16 171.54 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.82 -53.4 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 10.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.28 -47.69 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -57.96 -53.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.06 -24.73 66.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 10.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.76 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.625 1.203 . . . . 10.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -48.64 70.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -62.39 -28.0 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.8 t -77.47 122.54 25.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 47.7 m-70 -93.49 101.29 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.684 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -40.42 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 10.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.67 170.85 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 10.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 38' ' ' PRO . 4.4 mt -119.62 138.1 53.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 0.715 . . . . 10.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -127.66 107.71 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -118.92 -40.74 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 10.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 120.72 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.91 168.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 10.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.86 -39.27 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.414 1.071 . . . . 10.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.35 113.33 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 10.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -135.51 139.26 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 15.9 m-85 -97.92 173.0 7.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.7 m -145.17 153.1 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 10.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.494 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 10.9 p -137.06 -179.79 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 10.0 110.008 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 28' ' ' GLU . 15.4 m -143.01 138.56 30.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 10.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.801 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -111.89 98.72 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 10.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -39.36 24.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.99 53.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.01 85.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.572 1.827 . . . . 10.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.45 -138.56 3.76 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.397 1.061 . . . . 10.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -143.82 107.37 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.807 ' CE2' HD13 ' A' ' 56' ' ' LEU . 32.6 m-85 -87.54 151.73 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 29.3 m -126.25 143.56 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 35.4 p90 -152.86 157.19 40.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.407 1.067 . . . . 10.0 111.052 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.466 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -160.13 177.95 10.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.469 1.105 . . . . 10.0 111.02 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.267 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.6 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 25.9 mtt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.468 0.175 . . . . 10.0 110.99 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.461 HG13 ' C ' ' A' ' 91' ' ' MET . 35.9 m -155.71 125.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 10.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.66 135.16 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 10.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.89 161.65 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.71 153.0 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 10.0 109.308 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.61 112.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.608 1.193 . . . . 10.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 98' ' ' ASP . 2.9 t -80.33 177.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 10.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.687 ' H ' HG12 ' A' ' 97' ' ' VAL . 21.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -101.62 156.66 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 10.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -138.94 153.31 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.568 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.4 t -145.56 138.03 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -94.95 129.73 41.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.98 82.85 4.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 10.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.7 -155.42 16.24 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.486 1.116 . . . . 10.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -139.08 151.53 46.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 10.0 110.005 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.14 -59.0 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 10.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -63.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 10.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 88.81 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 10.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.06 150.43 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 0.722 . . . . 10.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HB3' ' HE3' ' A' ' 91' ' ' MET . 2.5 mp -85.34 58.0 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.529 1.143 . . . . 10.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 m -136.49 166.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 10.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.602 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 29.1 m-85 -126.34 110.23 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.2 tt0 -127.18 128.36 24.12 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 10.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 141.48 71.91 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.073 -2.47 . . . . 10.0 110.966 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -44.45 43.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 10.0 109.959 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -113.91 133.56 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.21 167.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -99.2 150.77 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 110.456 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -145.5 143.92 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.771 ' N ' HD13 ' A' ' 23' ' ' ILE . 8.9 mmtt -88.28 140.12 29.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 10.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.34 99.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.58 -26.87 4.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.405 1.066 . . . . 10.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -178.73 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 0.761 . . . . 10.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -133.53 171.58 13.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.838 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -126.62 161.13 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -124.99 120.68 32.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 8.3 m-90 -106.72 99.81 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.93 -1.137 . . . . 10.0 107.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.6 143.27 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 10.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -85.76 122.74 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -91.7 -77.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.37 178.91 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.52 70.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.38 1.05 . . . . 10.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 1.2 p -89.69 157.27 46.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 10.0 109.93 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.07 -169.57 7.49 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.987 -2.505 . . . . 10.0 110.963 0.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -156.71 92.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 10.0 109.616 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.62 138.14 32.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 10.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.836 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.4 mt -119.1 65.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 10.0 109.327 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.74 129.83 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 10.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.836 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.6 m-85 -102.63 143.18 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.7 146.36 26.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 10.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.9 75.02 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 10.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.68 100.04 10.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.76 -28.95 6.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG1' HG21 ' A' ' 52' ' ' THR . 16.4 t -90.97 168.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 10.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.65 170.1 6.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 10.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.22 -54.75 5.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 10.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.746 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -54.6 -38.01 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 10.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.517 HG21 ' CG1' ' A' ' 48' ' ' VAL . 2.9 m -61.54 -62.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.96 -22.31 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.76 -63.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -57.25 -44.04 83.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -63.8 -29.42 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 10.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.05 147.24 40.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 10.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 18.9 m-70 -112.36 99.04 7.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.525 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -99.05 40.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.31 -132.53 6.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 10.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.94 130.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 10.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.43 151.61 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 10.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -160.1 -44.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.589 1.18 . . . . 10.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 119.23 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.71 91.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.39 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.89 -37.71 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 10.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.87 106.47 16.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 m -118.12 140.73 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 10.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.484 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.5 m-85 -94.31 169.37 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 10.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 29' ' ' VAL . 28.2 m -145.69 148.41 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 110.402 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 10.9 p -138.68 154.16 48.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 10.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.552 ' O ' HD21 ' A' ' 56' ' ' LEU . 4.0 m -121.32 119.49 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 10.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.9 m-85 -88.11 97.91 11.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -54.6 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 130.55 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 110.249 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.09 87.42 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.88 -143.59 4.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.58 1.175 . . . . 10.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -141.68 99.87 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.686 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.2 m-85 -83.3 147.57 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 10.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 87.3 m -132.8 148.9 52.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -144.96 153.43 41.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.604 1.19 . . . . 10.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -135.35 169.87 16.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 10.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 3.4 mtm . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.512 0.196 . . . . 10.0 110.982 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -132.16 -93.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.771 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 66.8 132.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 10.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.15 149.23 36.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.756 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.25 157.4 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.1 t -141.17 126.56 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 10.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -93.41 130.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 10.0 109.297 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -95.51 125.98 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 11.0 t -120.74 149.39 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 21' ' ' VAL . 89.5 t -134.81 141.86 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.13 134.62 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 10.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.622 ' SD ' HD11 ' A' ' 41' ' ' ILE . 4.2 mtm -71.89 75.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 10.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.57 -138.94 13.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 10.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.11 159.21 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -53.45 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 -53.19 9.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 10.0 109.968 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.58 58.69 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 10.0 111.018 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.2 42.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 10.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -75.75 60.58 1.31 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 10.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 14' ' ' LEU . 17.1 m -158.42 148.52 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 0.8 OUTLIER -114.79 132.63 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 10.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.0 mt-10 -137.37 139.95 29.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 10.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 132.46 27.64 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.938 -2.526 . . . . 10.0 111.027 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.46 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.8 p -63.08 -15.28 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 10.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -141.78 136.17 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 10.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.8 t -135.32 175.64 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.568 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -106.32 136.86 45.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -137.94 155.53 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 10.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.73 154.06 18.26 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.412 1.07 . . . . 10.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.91 101.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 10.0 109.37 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.24 -18.67 8.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.428 1.08 . . . . 10.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.03 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 0.746 . . . . 10.0 110.339 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.9 pm0 -129.99 177.39 7.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.1 t -133.24 155.77 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 10.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' THR . 5.5 ttmm -125.86 134.95 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 8.3 m-90 -124.04 99.65 6.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -87.35 143.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -74.94 133.32 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -107.52 -68.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -173.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 67.4 62.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 6.2 p -85.53 153.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.05 -168.09 6.2 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.002 -2.499 . . . . 10.0 111.073 -0.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.16 140.91 23.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.498 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.05 135.88 22.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' SD ' ' A' ' 7' ' ' MET . 2.3 mt -125.68 71.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 11.0 t -77.36 138.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -109.42 147.66 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.53 146.31 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 10.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.08 78.09 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -106.86 97.01 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.46 -25.64 12.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 10.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.706 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -96.39 152.85 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.59 155.76 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.497 1.123 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 -56.14 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 10.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -49.87 -40.39 42.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.583 1.177 . . . . 10.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 m -64.05 -67.61 0.42 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.423 1.077 . . . . 10.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -44.15 -38.68 3.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 10.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -50.2 -58.72 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.35 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mp -73.09 -4.94 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 10.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -91.73 133.45 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.042 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 12.4 m-70 -112.66 99.65 8.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 109.585 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -43.7 -32.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.01 131.47 7.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 10.0 111.01 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -179.99 41.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 10.0 109.225 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.33 110.73 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 55.8 m-85 -122.52 -64.26 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 10.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.93 141.89 34.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 10.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.72 86.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 10.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.74 -39.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.2 mt-10 -80.0 100.71 8.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.8 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 p -109.34 151.56 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 10.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.462 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.2 m-85 -104.52 172.25 6.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.8 m -143.76 154.22 43.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.4 t -145.42 148.74 33.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 10.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.2 m -123.2 127.78 49.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 10.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.727 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -104.5 99.06 8.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -36.76 29.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.378 1.049 . . . . 10.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.29 125.61 55.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.442 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.1 85.85 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.471 1.774 . . . . 10.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.69 -149.49 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.453 1.095 . . . . 10.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.65 0.853 . . . . 10.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.727 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 50.3 m-85 -82.16 159.14 23.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 10.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.5 m -121.68 151.07 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 10.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 1.8 p90 -168.61 157.44 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 10.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -173.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 10.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 108.294 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.545 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 7.1 mtm . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.606 0.241 . . . . 10.0 110.982 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -116.83 124.85 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.92 142.11 10.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 10.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -143.22 145.44 32.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 96' ' ' VAL . 21.3 t -98.82 165.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 10.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.443 ' N ' HG12 ' A' ' 95' ' ' VAL . 61.1 t -143.4 121.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.668 HG13 HG23 ' A' ' 23' ' ' ILE . 2.5 t -97.19 154.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . 16.9 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 10.0 109.369 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.928 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -111.73 105.2 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 10.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.3 t -98.45 162.65 13.05 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.439 1.087 . . . . 10.0 110.351 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 10.5 t -145.71 161.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 10.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 mttm -114.38 118.33 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.842 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.28 77.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.83 -152.6 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.044 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 2.7 t -133.68 163.88 28.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 10.0 110.062 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.7 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 10.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -61.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 10.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.68 69.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 10.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -118.48 160.52 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 0.78 . . . . 10.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.55 -54.44 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 10.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -46.69 121.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 10.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 5.1 m-85 -74.91 143.51 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -140.19 133.77 15.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 10.0 110.206 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 133.8 33.07 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.047 -2.481 . . . . 10.0 110.98 -0.051 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.418 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 28.7 p -51.39 -52.02 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.5 m -105.96 133.61 50.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 10.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.675 HG12 ' HG2' ' A' ' 18' ' ' PRO . 13.8 m -140.27 145.1 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.727 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m -82.86 150.6 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 10.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.975 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.15 136.97 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 10.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.703 ' N ' HD13 ' A' ' 23' ' ' ILE . 12.0 mmtp -78.13 145.37 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.78 99.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.42 4.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.165 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.05 -179.06 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 10.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -125.47 175.36 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.5 t -123.76 161.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 10.0 109.307 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -133.47 113.58 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.51 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 12.3 m-90 -101.39 99.41 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 10.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 134.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 10.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -90.67 131.27 36.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 10.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 9' ' ' SER . 6.3 p-10 -106.12 -51.29 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.48 1.113 . . . . 10.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -164.29 -174.81 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.366 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.7 mm? 67.66 69.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.207 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 54.9 p -95.56 150.55 37.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 10.0 109.957 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.06 -171.18 9.04 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.935 0.011 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -150.45 79.04 1.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 10.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.433 ' ND2' HD13 ' A' ' 61' ' ' LEU . 6.4 t-20 -85.74 139.28 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' CE ' ' A' ' 7' ' ' MET . 2.6 mt -121.51 72.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 10.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 93.9 t -80.13 143.06 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 10.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.825 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -118.19 130.39 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 10.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.13 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.96 80.57 2.75 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.541 1.151 . . . . 10.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.74 -72.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 10.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.1 13.28 67.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.092 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.786 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.5 t -135.48 163.32 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 10.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -68.87 175.4 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 10.0 109.225 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.64 -61.1 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.82 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -42.8 -55.91 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 10.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 79' ' ' TYR . 21.2 m -54.86 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.85 -55.89 14.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 10.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.87 -28.83 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 10.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.591 1.182 . . . . 10.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.9 t -78.23 139.59 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 10.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.547 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.2 m-70 -108.43 99.65 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -102.43 25.78 8.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 10.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.87 -30.78 8.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 10.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' ND2' ' A' ' 40' ' ' ASN . 37.9 tp 63.79 122.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 10.0 109.232 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.727 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -104.35 157.8 16.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -158.76 -47.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.64 112.57 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 10.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 149.29 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.9 -37.76 3.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 10.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.29 128.4 35.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 10.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.59 133.11 37.96 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.153 . . . . 10.0 110.081 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.727 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 9.6 m-85 -90.66 178.02 6.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' VAL . 43.6 m -145.35 151.11 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 10.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.56 ' OG ' HD13 ' A' ' 56' ' ' LEU . 9.3 t -142.36 145.08 33.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' HD21 ' A' ' 56' ' ' LEU . 17.7 m -115.0 123.96 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 10.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.745 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -101.35 98.72 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 10.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -38.88 25.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 10.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.12 125.73 47.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 10.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.492 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 94.84 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 10.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.31 -137.36 3.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.577 1.173 . . . . 10.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -145.2 99.77 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 10.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.786 ' CE2' HG11 ' A' ' 48' ' ' VAL . 77.4 m-85 -86.02 137.45 32.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 10.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -117.04 147.75 42.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 54.0 p90 -151.36 153.28 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 10.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 4.2 p90 -145.8 155.45 42.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 10.0 108.305 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.524 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 1.4 ptp . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.423 0.154 . . . . 10.0 111.055 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.67 176.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.46 125.72 2.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 10.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -145.28 167.35 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 10.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.66 153.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.8 t -135.74 119.46 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 10.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.975 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.4 t -106.63 138.23 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 10.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -137.12 138.02 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.39 155.45 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.065 . . . . 10.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.869 HG12 ' H ' ' A' ' 7' ' ' MET . 96.2 t -138.56 140.94 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -87.58 15.43 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.869 ' H ' HG12 ' A' ' 5' ' ' VAL . 23.7 mtt 64.72 -70.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -96.44 -130.94 6.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 164.18 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 10.0 109.973 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -51.6 69.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.396 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -54.39 -58.52 7.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.29 92.27 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 10.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -157.02 153.87 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 10.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.53 56.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 7' ' ' MET . 15.9 m -116.38 179.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -146.2 115.95 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 10.0 111.025 -179.926 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.6 mt-10 -145.34 135.55 11.9 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 10.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.735 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.97 137.44 50.35 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.982 -2.507 . . . . 10.0 110.96 -0.007 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -53.44 -38.43 63.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 10.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -123.79 135.88 54.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 10.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.839 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 25.4 m -128.43 149.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -96.4 137.21 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 10.0 110.381 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.875 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.25 156.6 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.784 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.75 157.42 17.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 10.0 109.282 -179.874 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 82.68 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.6 -29.88 0.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 10.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -178.16 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 10.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.78 169.79 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.675 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.0 t -115.91 161.78 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -131.58 120.54 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.736 ' HB3' ' HE2' ' A' ' 7' ' ' MET . 20.5 m-90 -110.88 98.54 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.118 . . . . 10.0 108.053 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' OG ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -82.68 139.61 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 10.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 62' ' ' ALA . 24.0 m-20 -78.4 100.69 6.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -81.08 -66.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 10.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.98 -156.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER 57.77 70.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.563 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -117.83 163.12 25.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 10.0 110.114 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.06 167.99 78.79 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.999 0.036 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -178.63 140.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.59 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -127.67 176.19 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.4 mt -129.51 75.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 10.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 18.2 t -80.28 135.47 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 10.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.2 m-85 -106.85 143.41 34.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.26 142.82 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.38 79.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 10.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -102.28 101.35 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.42 -28.45 7.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 79' ' ' TYR . 2.1 t -88.4 170.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.777 . . . . 10.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.68 147.35 39.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 1.162 . . . . 10.0 109.36 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -65.82 -59.02 4.29 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.526 1.141 . . . . 10.0 109.299 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -39.83 -63.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -47.99 -56.74 6.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 10.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.95 -23.86 34.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.43 -34.28 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -10.18 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.117 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 7.2 mt -110.69 -6.36 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.5 t -94.07 113.91 25.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 10.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.69 105.43 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 10.0 109.632 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -41.03 75.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 10.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.486 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 147.92 -143.1 10.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.45 HD23 ' HE1' ' A' ' 63' ' ' PHE . 0.4 OUTLIER 82.87 30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.272 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -117.72 115.51 25.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 10.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HE1' HD23 ' A' ' 61' ' ' LEU . 26.3 p90 -164.02 -41.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.75 104.94 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.58 112.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 10.0 109.38 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.52 -51.75 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 10.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 48.2 mt-10 -74.87 105.71 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 10.0 110.215 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.719 ' OG ' HG23 ' A' ' 32' ' ' VAL . 4.6 m -108.12 143.0 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 10.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.639 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 15.7 m-85 -97.71 169.3 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.9 m -145.52 146.59 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 10.0 110.425 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.8 p -145.57 126.63 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 10.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -105.34 135.44 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.317 1.01 . . . . 10.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 53.9 m-85 -113.64 99.55 7.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 10.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -88.31 -4.21 58.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 10.0 110.329 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 17.8 tp10 -117.81 135.16 23.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.1 Cg_endo -75.08 136.19 19.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 10.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.71 -176.55 35.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.423 1.077 . . . . 10.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.4 m -117.32 128.65 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 10.0 110.461 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 80.2 m-85 -109.93 162.79 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.5 m -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.408 1.068 . . . . 10.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 37.5 p90 -135.62 134.31 39.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -118.49 132.12 56.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.413 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 7.2 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 10.0 108.278 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 ttt . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.464 0.174 . . . . 10.0 111.028 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.649 HG22 ' CZ ' ' A' ' 16' ' ' PHE . 11.5 m -141.26 -153.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 10.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . 149.41 148.0 4.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' TYR . 3.6 pttt -137.12 144.97 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 10.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 21' ' ' VAL . 3.4 t -114.04 157.37 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 10.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.614 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.3 t -128.97 126.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -117.09 120.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 -179.984 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.03 104.26 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 10.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -116.65 153.8 31.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 10.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.501 ' CG2' HG21 ' A' ' 21' ' ' VAL . 94.2 t -143.53 102.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE3' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -59.28 145.49 42.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 10.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.412 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 9.3 mtt -81.21 77.15 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -135.38 9.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 10.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.849 ' OG ' ' HB3' ' A' ' 13' ' ' ALA . 5.7 m -145.27 151.2 37.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 0.8 . . . . 10.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -51.2 56.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 10.0 109.25 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -62.35 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 10.0 109.96 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.4 69.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB3' ' OG ' ' A' ' 9' ' ' SER . . . -121.09 143.97 48.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 10.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.97 7.51 20.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 10.0 109.249 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG22 ' HB1' ' A' ' 13' ' ' ALA . 28.7 m -93.35 139.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 91' ' ' MET . 14.2 m-85 -79.22 108.11 12.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.6 tt0 -117.84 132.09 23.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 10.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HG2' HG13 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 168.42 77.48 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 p -84.95 -33.47 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -127.3 132.75 50.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.704 HG13 ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -135.35 140.21 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.21 -179.905 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.33 127.04 37.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 10.0 110.436 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.915 ' CG2' HG22 ' A' ' 97' ' ' VAL . 4.6 tt -127.91 156.56 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -99.81 165.56 11.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 10.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 79.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.58 -21.06 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.417 1.073 . . . . 10.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 4.8 mm-40 -74.64 168.87 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 0.723 . . . . 10.0 110.269 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.78 ' CG ' HG23 ' A' ' 72' ' ' THR . 2.7 mt-10 -121.77 158.01 29.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 10.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD12 ' A' ' 23' ' ' ILE . 8.5 t -112.89 160.0 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.395 1.06 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 3.9 ttpt -139.77 112.6 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.4 m-90 -100.31 99.74 10.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 10.0 108.048 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -90.68 132.58 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.085 . . . . 10.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -79.82 101.31 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' SER . 31.4 t30 -74.44 -41.01 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 10.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 172.51 -163.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 66.23 59.5 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 10.0 109.213 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.07 151.25 51.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.412 1.07 . . . . 10.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.93 -166.54 4.94 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.025 -2.49 . . . . 10.0 111.024 -0.065 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -157.67 155.78 30.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 10.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 39' ' ' HIS . 11.6 m-80 -158.32 137.32 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 10.0 109.388 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.696 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -119.21 71.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.7 t -82.86 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.696 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.2 m-85 -108.38 131.85 54.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.77 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -106.08 80.78 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 10.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.1 -68.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 10.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.29 16.54 60.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.09 . . . . 10.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 79' ' ' TYR . 16.5 t -139.08 169.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.549 0.793 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.505 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -67.12 155.79 37.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 10.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -80.69 -50.61 9.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -48.31 -64.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 10.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 56' ' ' LEU . 12.2 m -51.34 -41.06 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 10.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -67.39 -23.63 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -72.19 -26.8 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 10.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -14.41 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.168 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.2 mt -106.58 -9.56 16.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 10.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 15.8 t -89.94 114.97 26.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 10.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 20.2 m-70 -89.99 103.29 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 10.0 109.522 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.2 35.62 2.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -99.78 -142.55 13.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 10.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -164.37 119.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 10.0 109.328 179.901 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.78 128.12 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 10.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 22.9 p90 -141.81 -46.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . . . -74.79 111.82 10.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' ALA . . . -40.4 138.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.5 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 10.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.27 111.76 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 10.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.4 p -135.9 162.49 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 10.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.454 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 26.5 m-85 -123.72 173.21 8.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 10.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' VAL . 45.0 m -137.31 149.47 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 10.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.877 ' HB2' HD23 ' A' ' 56' ' ' LEU . 7.6 p -145.92 126.67 14.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 10.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.78 HG23 ' CG ' ' A' ' 28' ' ' GLU . 1.3 m -100.65 147.91 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 10.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 1.168 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 58.7 m-85 -129.88 99.19 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.19 . . . . 10.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -13.26 51.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.26 140.0 26.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 10.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 147.65 34.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 10.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.19 172.36 25.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 10.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -110.03 107.56 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.835 ' CE2' HG11 ' A' ' 48' ' ' VAL . 93.5 m-85 -93.82 154.3 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 94' ' ' LYS . 96.6 m -131.25 154.19 48.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 10.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 52.8 p90 -150.48 143.27 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 10.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -123.42 -176.8 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 10.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 108.316 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.572 ' HE2' ' CE1' ' A' ' 16' ' ' PHE . 4.0 ttt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.495 0.188 . . . . 10.0 110.996 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.6 t -149.54 -81.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 70.89 125.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 10.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -125.35 146.49 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 10.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 96' ' ' VAL . 35.8 t -100.87 165.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.46 ' N ' HG12 ' A' ' 95' ' ' VAL . 47.1 t -144.38 112.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.915 HG22 ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -93.72 135.73 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.29 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.237 -0.653 . . . . 10.0 109.237 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.774 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -144.86 105.9 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 10.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -116.88 148.25 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.72 117.07 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 10.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -69.92 86.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.47 83.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 10.0 110.966 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 130.1 112.14 1.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 10.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 52.6 m -75.34 139.99 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 0.718 . . . . 10.0 110.0 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -43.18 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -32.18 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 10.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.26 46.82 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 10.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.71 141.46 37.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 10.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 36' ' ' LEU . 4.4 mm? -75.17 -28.82 60.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -76.48 168.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 10.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -118.85 155.9 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 10.0 110.999 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -145.66 129.11 8.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.11 157.62 99.39 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.938 -2.526 . . . . 10.0 110.925 0.101 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -74.62 -32.88 62.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -127.34 140.87 51.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 10.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.4 m -137.6 138.99 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.75 128.18 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.485 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -123.07 172.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.489 ' C ' HG13 ' A' ' 97' ' ' VAL . 1.7 mttt -112.9 162.21 16.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 109.208 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 74' ' ' THR . . . -80.89 76.9 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 10.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.95 -18.74 1.41 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.147 . . . . 10.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -74.99 176.96 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 0.777 . . . . 10.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 72' ' ' THR . 2.2 mt-10 -124.59 165.1 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 10.0 110.372 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -127.52 146.08 33.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.533 1.146 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 120.69 32.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 10.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.608 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.9 m-90 -106.31 99.8 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.03 130.79 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 10.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.59 101.54 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 10.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -80.55 -67.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 10.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.556 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -157.03 -162.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 10.0 109.375 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 35' ' ' LYS . 2.7 mm? 68.04 70.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.239 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.2 m -126.26 157.9 68.53 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.05 167.97 78.85 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.991 -2.504 . . . . 10.0 110.958 0.071 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.421 ' CE1' ' SD ' ' A' ' 7' ' ' MET . 0.3 OUTLIER -178.79 155.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 10.0 109.532 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.582 HD22 HD12 ' A' ' 61' ' ' LEU . 29.3 p30 -140.33 172.49 12.66 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.415 1.072 . . . . 10.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.4 mt -126.22 79.13 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 45.9 t -80.11 132.84 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-85 -105.0 125.18 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 10.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.63 154.89 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -112.85 76.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 10.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.56 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.11 5.7 75.19 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.42 1.075 . . . . 10.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.0 165.61 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.8 160.04 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.14 -59.93 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -44.02 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 109.359 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.76 -53.2 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 10.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -56.05 -28.4 57.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 10.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.55 -52.82 61.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 10.0 109.191 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.94 99.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 109.294 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.725 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -77.33 -4.97 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -93.98 114.74 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 10.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 9.9 m-70 -88.45 102.23 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -124.59 40.29 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.87 -27.58 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.582 HD12 HD22 ' A' ' 40' ' ' ASN . 0.2 OUTLIER 73.84 109.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 10.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -105.97 158.29 16.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 10.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.87 -43.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 10.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 114.05 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.76 167.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.2 -39.32 3.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.468 1.105 . . . . 10.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.77 101.79 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 10.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.57 128.86 55.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 10.0 110.037 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 38.8 m-85 -82.53 173.64 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 31.6 m -140.93 158.58 43.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.3 p -145.92 173.31 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 10.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.534 HG23 ' HG3' ' A' ' 28' ' ' GLU . 8.2 m -146.23 122.14 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 10.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.0 m-85 -101.77 98.71 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.444 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -83.41 -58.89 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.615 1.197 . . . . 10.0 110.404 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -69.43 131.14 90.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 10.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.03 85.41 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.99 -147.8 5.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.434 1.084 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' VAL . 12.9 m -142.28 116.25 9.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 0.754 . . . . 10.0 110.476 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 14.7 m-85 -92.09 158.98 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 69.8 m -142.89 151.08 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 110.415 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 9.1 p90 -148.33 179.53 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 10.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 12.7 p90 -153.78 -177.11 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.6 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 108.315 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.462 ' CE ' ' HB2' ' A' ' 83' ' ' CYS . 13.1 ptm . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.462 0.172 . . . . 10.0 110.946 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.82 -65.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 60.42 127.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.71 168.86 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 0.723 . . . . 10.0 109.277 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' THR . 6.8 t -129.59 159.41 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -138.0 136.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.38 1.05 . . . . 10.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.489 HG13 ' C ' ' A' ' 24' ' ' LYS . 2.8 t -106.92 117.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 10.0 109.285 179.981 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -117.12 102.71 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 10.0 109.261 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 t -108.75 159.69 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 10.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.424 HG22 ' HD2' ' A' ' 18' ' ' PRO . 56.1 t -144.72 114.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 10.0 109.32 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -58.65 103.82 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 10.0 109.222 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.827 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.9 mtm -57.71 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 10.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HA ' ' A' ' 13' ' ' ALA . . . 96.24 144.65 17.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 10.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.4 ' N ' ' HA ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -75.93 154.85 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 10.0 110.011 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -27.88 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -51.79 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.899 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.896 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -112.67 -20.5 6.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 10.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.733 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . 73.49 85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 91' ' ' MET . 9.7 tp -125.66 -58.74 1.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.142 . . . . 10.0 109.247 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' OE1' ' A' ' 17' ' ' GLU . 3.2 m -91.86 156.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 10.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 7' ' ' MET . 22.5 m-85 -93.11 119.64 32.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.66 135.77 27.39 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 10.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 133.1 29.87 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.007 -2.497 . . . . 10.0 111.04 -0.062 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.6 p -50.9 -53.76 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 110.064 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 136.52 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 10.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.9 m -145.08 138.24 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.19 123.29 39.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.507 HD13 ' CG ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -124.55 162.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' N ' ' CG1' ' A' ' 23' ' ' ILE . 3.3 mmtt -82.14 159.71 23.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 10.0 109.217 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.37 66.74 8.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 10.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 172.19 -31.73 0.12 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.431 1.082 . . . . 10.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' HD11 ' A' ' 23' ' ' ILE . 41.9 mt-10 -73.81 170.11 15.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 10.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.54 174.52 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 110.239 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 3' ' ' ALA . 3.0 t -122.35 138.65 51.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -113.89 116.02 28.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.64 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.5 m-90 -100.19 99.82 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.37 129.59 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.08 129.62 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.235 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 22.2 p-10 -96.82 -49.3 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 109.357 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -162.13 -175.8 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 64.95 70.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -99.85 153.84 37.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.94 -167.96 6.06 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.135 -2.444 . . . . 10.0 110.945 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.1 m-70 -150.05 108.47 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.646 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -100.98 142.94 31.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 10.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.827 HD11 ' SD ' ' A' ' 7' ' ' MET . 9.5 mt -131.97 62.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 10.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.95 130.88 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.9 m-85 -100.57 156.2 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 111.043 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.933 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.68 156.11 32.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 10.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.6 65.78 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.61 76.86 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 10.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.58 -23.83 34.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 10.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.75 HG13 ' OE1' ' A' ' 75' ' ' GLU . 4.6 t -90.67 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 10.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.584 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -73.08 163.36 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.91 -53.66 9.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 10.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.783 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.11 -51.32 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 109.192 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -52.2 -53.01 48.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.3 -18.55 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.29 -41.5 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -36.2 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -84.71 -4.09 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 10.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.57 127.38 34.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.971 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 10.9 m170 -97.78 101.24 12.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 10.0 109.567 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -110.43 22.27 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 10.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 -44.8 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.626 1.204 . . . . 10.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.24 118.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -95.08 131.5 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 37' ' ' SER . 77.2 m-85 -104.06 -43.08 5.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.18 141.43 30.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 10.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.79 56.87 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 -42.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.526 1.141 . . . . 10.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.37 138.14 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 10.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.34 128.41 37.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 49.1 m-85 -76.98 175.91 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.6 m -145.35 144.31 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 9.3 p -145.52 126.36 14.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -83.73 137.11 33.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 10.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 97' ' ' VAL . 2.9 m-85 -110.54 97.65 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 10.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -40.89 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 10.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.75 ' OE1' HG13 ' A' ' 48' ' ' VAL . 15.0 tt0 -77.82 117.69 67.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 110.273 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 86.24 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.589 1.836 . . . . 10.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.86 -137.86 2.98 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.502 1.126 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.574 HG23 HG22 ' A' ' 96' ' ' VAL . 20.1 m -145.13 126.97 15.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 0.809 . . . . 10.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' HD13 ' A' ' 56' ' ' LEU . 55.2 m-85 -109.21 156.82 19.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 10.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 m -143.78 147.03 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.78 178.86 7.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.933 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -146.51 -168.69 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 10.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 10.0 108.312 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.506 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.482 0.182 . . . . 10.0 110.971 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 93' ' ' GLY . 23.8 t -114.73 170.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.534 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 132.96 133.05 3.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 10.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 155.82 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 10.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG13 HG23 ' A' ' 21' ' ' VAL . 2.4 t -105.09 155.5 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 10.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 78' ' ' THR . 40.6 t -142.07 118.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CD2' ' A' ' 73' ' ' PHE . 2.1 t -79.39 170.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.468 ' H ' HG12 ' A' ' 97' ' ' VAL . 22.5 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -86.93 147.83 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -147.01 158.77 44.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 77.2 t -145.28 134.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 10.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -85.5 49.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 41' ' ' ILE . 34.1 mtt 35.13 -95.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 10.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -68.84 -145.32 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.361 1.038 . . . . 10.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.659 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 6.2 m -137.56 152.21 49.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 10.0 110.01 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -72.85 -29.46 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 10.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -86.66 46.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 10.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.59 54.76 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.53 1.144 . . . . 10.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -124.14 149.89 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' O ' ' HE2' ' A' ' 91' ' ' MET . 5.0 mp -82.34 -49.63 9.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 92' ' ' VAL . 23.9 m -39.86 142.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 10.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 61.7 m-85 -75.0 135.01 41.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 10.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -137.76 120.3 11.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 10.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.03 140.96 70.23 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 121.009 -2.496 . . . . 10.0 110.991 -0.028 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p -58.97 -49.21 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -108.38 142.54 38.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 10.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -144.29 138.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -89.92 138.66 31.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.436 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 29' ' ' VAL . 8.6 tt -142.88 160.14 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.77 166.11 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 10.0 109.215 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.52 83.77 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 10.0 109.221 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 146.16 -18.72 1.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 10.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.69 -178.9 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.611 0.83 . . . . 10.0 110.272 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.4 pm0 -126.41 170.08 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 10.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 23' ' ' ILE . 7.2 t -130.26 135.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -111.96 127.57 55.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.839 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.6 m-90 -115.88 100.04 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 10.0 108.017 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 10.0 109.198 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -75.19 134.1 41.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 10.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 9' ' ' SER . 4.7 t-20 -115.67 -64.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 10.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.25 -149.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 10.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.5 mm? 50.19 69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.367 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.614 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -118.05 165.73 15.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 10.0 109.968 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.614 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 168.7 76.62 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.493 . . . . 10.0 110.979 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER 179.21 -177.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 109.571 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 1.006 ' OD1' HG23 ' A' ' 42' ' ' VAL . 20.9 p30 -173.2 -177.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 10.0 109.24 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 ' CE ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -126.87 77.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.617 1.198 . . . . 10.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.006 HG23 ' OD1' ' A' ' 40' ' ' ASN . 89.4 t -86.19 128.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.1 m-85 -105.11 135.2 46.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 10.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.52 166.89 10.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 10.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.57 73.27 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -103.33 88.72 3.18 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.501 1.125 . . . . 10.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 -32.42 6.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 10.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 79' ' ' TYR . 8.5 t -88.0 168.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 10.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.5 m-20 -66.16 162.98 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.73 -61.44 1.78 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 10.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.758 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.26 -47.0 46.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -53.73 -66.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 10.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.16 -25.61 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.36 -51.45 60.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 10.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -47.61 82.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.4 mp -68.55 -17.38 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.183 . . . . 10.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.4 t -82.34 132.88 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 10.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 17.6 m-70 -107.32 100.22 9.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 10.0 109.548 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -106.5 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 10.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.04 -31.59 5.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 10.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.77 141.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 10.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -124.39 167.84 13.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.408 1.068 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 28.4 m-85 -160.68 -51.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 10.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -75.35 130.17 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.05 95.31 0.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 10.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.34 -40.47 0.33 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.557 1.161 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.866 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 4.6 mp0 -74.86 100.71 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 10.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.1 p -110.02 155.75 21.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 10.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 15.4 m-85 -112.64 172.83 6.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -145.04 148.14 33.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.461 1.101 . . . . 10.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.503 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.6 p -145.14 143.46 30.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.6 m -100.61 130.29 46.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.955 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -101.9 98.46 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 10.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -94.8 -48.23 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 10.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 118.78 70.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 10.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 10.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.79 -145.98 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 10.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 95' ' ' VAL . 5.7 m -134.0 127.33 32.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 10.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.672 ' CE2' HD22 ' A' ' 56' ' ' LEU . 66.5 m-85 -107.93 153.77 22.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -135.72 139.67 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 7.5 p90 -141.68 170.34 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -177.68 160.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 1.079 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 10.0 108.334 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 1.079 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 2.9 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.502 0.192 . . . . 10.0 110.959 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 15' ' ' VAL . 4.0 m -67.29 136.36 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.86 121.86 1.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 10.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -136.75 176.55 8.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 10.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 HG23 ' A' ' 21' ' ' VAL . 1.5 t -126.65 153.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.2 t -134.02 113.52 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 10.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.0 t -75.86 154.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.244 -0.65 . . . . 10.0 109.244 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -108.21 161.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 13.5 t -145.01 150.08 36.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 10.0 110.431 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.91 125.85 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -80.18 120.8 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 10.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.601 ' HE1' HD11 ' A' ' 41' ' ' ILE . 1.2 mtm -62.06 105.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.056 . . . . 10.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.7 -141.31 15.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.31 151.88 39.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 10.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -57.63 -56.16 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 10.0 109.389 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -47.77 -52.14 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.44 68.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 10.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -123.25 -174.33 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 10.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.449 HD22 ' C ' ' A' ' 13' ' ' ALA . 4.3 mm? -113.09 -52.31 2.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.6 m -40.09 139.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.656 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 17.5 m-85 -81.71 124.7 29.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 10.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -130.27 127.4 22.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 10.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.0 Cg_endo -75.0 137.38 50.01 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.016 -2.493 . . . . 10.0 110.949 0.012 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -61.69 -41.78 98.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 10.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.2 m -116.7 137.83 51.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 10.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.6 m -140.93 159.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 10.0 109.211 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.86 138.54 33.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.53 158.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -104.42 156.06 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.97 93.23 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.623 1.202 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 135.81 -28.81 2.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.52 -179.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 10.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.3 pt-20 -135.31 178.45 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 10.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 3' ' ' ALA . 1.6 t -129.26 163.72 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.485 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 4.4 ttmt -130.78 113.99 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.627 ' CE3' HG12 ' A' ' 29' ' ' VAL . 20.3 m-90 -99.03 99.67 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 10.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 143.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.697 ' OD1' ' HB1' ' A' ' 62' ' ' ALA . 1.9 m120 -81.67 126.85 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 10.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' MET . 3.1 t30 -100.39 -56.66 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -177.4 -170.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 36' ' ' LEU . 3.0 mm? 65.72 70.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 10.0 109.357 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 15.4 p -92.51 149.53 38.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 10.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 -167.35 5.56 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.072 -2.47 . . . . 10.0 110.959 0.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.73 111.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 10.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -113.97 152.37 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 10.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.6 mt -121.43 70.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.76 129.11 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 10.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.799 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -102.55 126.55 49.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 10.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.46 154.26 21.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -101.99 79.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -100.14 -65.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 10.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.82 8.89 61.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.509 HG11 ' CE2' ' A' ' 79' ' ' TYR . 7.2 t -131.3 160.21 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.08 159.46 5.77 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.619 1.199 . . . . 10.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.74 -52.69 23.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 10.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-20 -55.38 -61.88 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 10.0 109.248 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 ' HE2' ' A' ' 79' ' ' TYR . 15.4 m -43.87 -52.54 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 10.0 110.392 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.72 -36.55 69.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 10.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.68 -19.12 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -41.52 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -82.23 -14.61 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.01 143.8 43.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.999 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.4 m-70 -114.1 99.24 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 10.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -98.0 40.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.18 -133.05 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 10.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.62 118.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 10.0 109.287 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.697 ' HB1' ' OD1' ' A' ' 33' ' ' ASN . . . -118.76 148.74 42.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 10.0 109.281 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 12.4 p90 -162.98 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.9 116.99 24.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.51 105.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.383 1.052 . . . . 10.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.64 -37.41 0.62 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.471 1.107 . . . . 10.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.5 100.18 10.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.375 0.691 . . . . 10.0 110.215 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 m -116.85 145.84 43.29 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 10.0 110.037 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -104.54 174.58 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 10.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' VAL . 23.8 m -145.42 148.9 33.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 1.054 . . . . 10.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -142.95 138.45 30.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 10.0 110.01 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.5 m -107.94 125.71 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 10.0 110.415 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.711 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 9.3 m-85 -93.65 98.23 11.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 10.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -89.78 -22.21 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 10.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.24 123.66 41.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.387 1.73 . . . . 10.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.51 -151.54 5.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.568 1.167 . . . . 10.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 m -130.32 99.75 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 0.81 . . . . 10.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.711 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 72.9 m-85 -80.06 147.27 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' ' 94' ' ' LYS . 98.2 m -128.48 147.93 50.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.578 1.174 . . . . 10.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' PHE . 24.6 p90 -160.05 174.99 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.577 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -165.45 -169.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 108.314 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.656 ' CE ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.541 0.21 . . . . 10.0 111.031 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.664 HG12 ' N ' ' A' ' 93' ' ' GLY . 79.6 t 63.29 -103.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.664 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.94 132.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.441 1.088 . . . . 10.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.445 ' HG2' HG23 ' A' ' 80' ' ' THR . 78.6 mttt -141.37 162.7 34.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 0.707 . . . . 10.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 t -116.83 153.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 123.37 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.506 1.129 . . . . 10.0 109.247 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.505 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -95.0 158.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 10.0 109.268 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.1 p30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -80.19 119.84 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 10.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -118.43 155.02 31.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 110.417 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -138.38 152.6 25.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.65 1.219 . . . . 10.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -108.13 113.09 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 10.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.681 ' CE ' HD11 ' A' ' 41' ' ' ILE . 7.6 mtt -44.68 128.88 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 10.0 110.972 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.05 -136.1 28.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.9 159.38 43.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -53.31 -48.77 68.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 10.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -60.4 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 10.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.21 79.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 10.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.75 161.88 32.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CE ' ' A' ' 91' ' ' MET . 3.9 mm? -77.85 -55.01 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 15' ' ' VAL . 12.7 m -58.72 121.38 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -74.67 153.65 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 10.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.3 mp0 -146.87 130.73 8.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 10.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 158.18 99.15 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.018 -2.492 . . . . 10.0 111.045 0.087 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -86.94 -29.59 21.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 10.0 110.063 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.0 m -125.2 128.8 48.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.433 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -130.68 160.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -89.41 144.54 25.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 10.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.637 HG23 HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -145.61 158.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 10.0 109.267 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -103.96 156.32 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 10.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.86 101.68 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 10.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.21 -21.66 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 10.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.65 -179.53 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 10.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -131.82 176.04 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 10.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -131.49 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -125.49 125.59 43.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.239 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 17.4 m-90 -113.75 99.59 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -92.95 143.87 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 10.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -90.48 122.7 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 10.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -91.95 -66.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -174.71 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 14' ' ' LEU . 2.0 mp 63.45 69.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 10.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -101.23 159.49 29.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 10.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.93 -171.23 9.08 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.072 -2.47 . . . . 10.0 111.056 -0.146 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.51 138.3 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 10.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' C ' ' CG1' ' A' ' 41' ' ' ILE . 9.2 t30 -127.45 170.92 12.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' CE ' ' A' ' 7' ' ' MET . 4.2 mt -149.62 73.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 10.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.7 t -82.67 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.6 m-85 -105.52 125.96 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.43 164.68 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.331 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.6 75.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 10.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -98.14 94.56 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.554 1.159 . . . . 10.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.9 -35.91 3.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.43 1.081 . . . . 10.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.22 160.42 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 10.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 155.34 12.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 10.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.66 -55.23 8.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.81 -54.42 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 10.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -51.73 -55.77 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.073 . . . . 10.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.91 -33.02 35.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.37 -43.19 95.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -40.41 77.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.953 HD23 ' HB2' ' A' ' 71' ' ' SER . 9.6 mt -81.97 -3.48 54.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.244 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 8.8 t -93.31 130.76 38.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 10.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 6.9 m-70 -95.33 100.91 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 10.0 109.564 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.74 -33.4 25.08 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.4 125.17 8.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.368 1.043 . . . . 10.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.12 154.26 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 10.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.53 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 10.0 109.393 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -124.28 -56.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 10.0 110.966 -179.862 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.63 126.48 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 10.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.18 86.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.1 -34.42 0.09 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 10.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.92 105.41 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.372 0.69 . . . . 10.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 p -108.5 148.6 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 10.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -99.44 172.48 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.103 . . . . 10.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 m -145.71 147.58 32.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 10.0 110.343 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.953 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.5 p -144.82 150.25 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 10.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.585 ' O ' HD21 ' A' ' 56' ' ' LEU . 6.9 m -116.74 137.36 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 110.338 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 7.1 m-85 -107.36 98.06 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 10.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -44.85 17.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 10.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.44 124.1 73.98 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 10.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.447 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.43 1.753 . . . . 10.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.58 -152.88 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 10.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 104.79 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 10.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.766 ' CE2' HD13 ' A' ' 56' ' ' LEU . 70.4 m-85 -85.43 156.56 20.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 10.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.5 m -137.37 146.05 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 11.5 p90 -155.29 168.49 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.95 -148.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 10.0 108.342 -179.95 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.55 0.214 . . . . 10.0 111.014 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.7 m -102.57 123.45 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 10.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.521 ' HA3' ' CE1' ' A' ' 16' ' ' PHE . . . -147.22 146.98 17.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.158 . . . . 10.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.66 43.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 10.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.14 153.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.26 122.81 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 10.0 109.375 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -96.09 99.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.305 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.185 . . . . 10.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.261 -0.644 . . . . 10.0 109.261 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -104.19 104.79 14.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 10.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -108.52 160.57 15.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 10.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 26.4 t -145.38 163.68 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 10.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.475 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -104.75 125.77 51.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 10.0 109.318 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 39' ' ' HIS . 5.5 mtm -61.2 -85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.26 166.9 54.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -109.89 151.16 27.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 10.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -43.85 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 10.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -59.03 -46.17 88.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.27 60.34 0.39 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.35 174.65 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 0.705 . . . . 10.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.96 52.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 10.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.94 144.61 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 10.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 63.5 m-85 -78.84 144.22 35.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -138.38 102.8 7.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 110.334 179.902 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.92 -179.99 28.54 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 10.0 111.085 -0.073 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p -102.96 -26.92 12.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 110.052 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -125.46 125.44 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 10.0 110.465 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 5' ' ' VAL . 16.6 m -132.68 140.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 10.0 109.23 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -87.61 145.08 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 10.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 29' ' ' VAL . 2.3 tt -145.58 156.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.2 mmtt -83.97 165.62 18.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 10.0 109.223 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.38 81.4 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.637 1.211 . . . . 10.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 153.5 -25.93 0.76 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.483 1.114 . . . . 10.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.44 -178.4 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 10.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 1.1 pm0 -124.85 178.77 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 10.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 23' ' ' ILE . 2.7 t -133.67 140.88 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 10.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.82 124.32 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 10.0 109.237 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.8 m-90 -110.34 102.59 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 10.0 108.01 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.62 136.24 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 10.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -87.04 101.32 13.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.58 -63.39 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.4 -170.57 1.9 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.56 1.162 . . . . 10.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 7.7 mp 67.44 65.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 10.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -96.04 160.32 30.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 10.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 -172.97 11.54 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.02 -2.492 . . . . 10.0 110.976 0.146 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 10.2 m-70 -145.04 155.73 43.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.578 1.173 . . . . 10.0 109.652 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.41 103.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 10.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.707 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.6 mt -87.68 86.81 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 10.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 31.6 t -84.42 131.41 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.707 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.9 m-85 -106.86 124.63 49.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 10.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.22 158.46 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.01 75.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.91 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 10.0 109.296 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.51 13.09 64.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 10.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.655 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.13 167.19 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 10.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.37 166.48 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.62 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 10.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -53.96 -61.82 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -45.93 -52.04 12.28 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.464 1.103 . . . . 10.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -60.74 -30.43 69.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -57.8 -44.93 86.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -64.65 -27.84 69.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 10.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 43.1 t -75.31 128.79 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.024 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 9.1 m170 -77.72 102.13 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.53 33.4 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 10.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -120.61 -158.63 10.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 10.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 60' ' ' GLY . 4.9 mp -143.58 129.58 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -110.54 117.68 34.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 35.5 p90 -133.94 -45.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 10.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.2 118.48 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 10.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 169.54 -30.4 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 10.0 111.026 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -82.1 116.67 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 10.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.2 p -123.42 152.16 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 73.8 m-85 -97.59 173.33 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 10.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 7.0 m -146.02 146.41 30.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 10.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.5 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 7.6 p -145.15 142.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 10.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -99.02 134.11 42.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 10.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.968 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -105.58 97.91 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.5 -47.55 6.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 10.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.89 119.41 75.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 10.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.85 61.27 5.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 10.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.67 -144.72 6.77 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 10.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -136.96 116.2 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 0.751 . . . . 10.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.655 ' CE2' HG11 ' A' ' 48' ' ' VAL . 53.7 m-85 -95.85 150.74 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -135.99 150.1 49.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.515 1.134 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 3.6 p90 -150.04 167.71 25.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' O ' ' CG ' ' A' ' 82' ' ' TYR . 2.9 p90 -170.56 127.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 10.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.58 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 1.6 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 10.0 108.232 -179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.728 ' C ' HG23 ' A' ' 92' ' ' VAL . 57.9 ttp . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.521 0.201 . . . . 10.0 110.98 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 91' ' ' MET . 1.7 t 76.64 -172.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.717 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 95.61 128.67 5.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.52 166.91 24.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.51 159.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.356 1.035 . . . . 10.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.2 t -139.06 115.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 ' CD2' ' A' ' 73' ' ' PHE . 4.4 t -77.65 140.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 10.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.0 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.993 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.06 113.51 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 10.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -123.77 150.28 44.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.655 ' CG2' HG11 ' A' ' 21' ' ' VAL . 72.7 t -145.33 121.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 10.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -70.36 114.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 10.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 33' ' ' ASN . 44.2 mtt -34.68 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.11 -134.97 6.7 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.467 1.104 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' HD21 ' A' ' 34' ' ' ASN . 4.3 m -128.73 126.03 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 10.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.21 -59.5 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 10.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -30.82 14.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.567 1.167 . . . . 10.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 113.54 86.98 1.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -167.38 141.03 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 10.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.96 81.11 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 10.0 109.238 -179.924 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 16' ' ' PHE . 2.2 t -135.22 174.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 10.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.619 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 14.1 p90 -145.04 109.9 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.37 141.19 16.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 10.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.08 134.89 37.96 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 10.0 111.019 0.041 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -51.88 -46.13 64.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.985 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 94' ' ' LYS . 1.1 m -116.57 118.92 33.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 10.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.866 HG12 ' HG2' ' A' ' 18' ' ' PRO . 2.9 m -118.84 139.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 10.0 109.371 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.68 134.39 33.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.374 -179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 HG23 ' A' ' 29' ' ' VAL . 4.8 tt -139.4 161.92 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.1 mttt -95.95 164.37 12.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -80.82 90.74 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.88 -14.36 4.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.552 1.157 . . . . 10.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.472 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -75.0 177.16 6.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 0.771 . . . . 10.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.12 165.41 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -125.92 161.5 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -139.55 126.94 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 10.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.612 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.6 m-90 -111.35 99.91 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -83.97 129.15 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.492 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 43.1 t30 -88.37 131.17 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 10.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.437 HD21 ' N ' ' A' ' 9' ' ' SER . 1.7 p30 -113.51 -34.3 5.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 10.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.05 -166.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 10.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? 64.83 63.1 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.573 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -104.56 163.71 16.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 10.0 109.994 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.0 -60.47 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.914 -2.536 . . . . 10.0 111.015 -0.085 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 65.56 152.19 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 10.0 109.574 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.449 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 2.5 m120 -129.02 178.51 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 10.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.0 mt -130.64 59.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 10.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.74 138.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.21 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -108.02 139.91 41.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.44 1.087 . . . . 10.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.96 144.37 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.31 77.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 10.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 -60.53 1.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 10.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.08 58.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 10.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 49' ' ' ASP . 39.7 t -129.29 167.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 10.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.5 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -73.27 152.95 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.595 1.185 . . . . 10.0 109.362 179.873 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 19.6 m-20 -52.62 -56.53 14.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 10.0 109.195 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -50.77 -51.21 52.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 110.372 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.32 -19.48 63.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.99 -34.49 73.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.589 1.181 . . . . 10.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -24.67 29.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 10.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.2 -8.58 38.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 13.9 t -90.53 133.49 35.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 10.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.4 m-70 -111.58 99.64 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 10.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -43.79 3.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 109.226 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 61' ' ' LEU . . . 126.75 153.4 8.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 10.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER 162.22 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 10.0 109.378 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -111.04 104.52 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 10.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -138.12 -45.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 10.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.2 112.04 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.63 156.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.27 9.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 10.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.81 117.46 16.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.471 0.747 . . . . 10.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.79 132.78 45.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.937 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' HD2' HD12 ' A' ' 41' ' ' ILE . 17.5 m-85 -89.84 174.32 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 10.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.6 m -145.1 151.55 38.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 10.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.41 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 13.4 t -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 10.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.429 ' O ' HD21 ' A' ' 56' ' ' LEU . 20.5 m -110.75 117.74 34.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.8 m-85 -96.42 99.3 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 10.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.73 -49.98 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.1 tt0 -80.99 131.69 59.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 10.0 110.393 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -74.99 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 10.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.83 -149.83 6.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.37 1.044 . . . . 10.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.46 102.92 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 10.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.885 ' CE2' HD12 ' A' ' 56' ' ' LEU . 61.4 m-85 -86.23 154.16 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 10.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 93' ' ' GLY . 65.5 m -141.15 149.45 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 10.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 8.6 p90 -142.96 147.76 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.671 1.232 . . . . 10.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' A' ' 83' ' ' CYS . 31.3 p90 -120.18 -7.65 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 111.057 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 1.3 t . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.352 1.032 . . . . 10.0 108.346 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.584 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.46 0.172 . . . . 10.0 110.984 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.619 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 26.6 m -121.44 120.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.403 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -117.02 169.78 13.2 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.465 1.103 . . . . 10.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -145.55 120.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 10.0 109.21 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.03 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 109.399 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.5 t -144.52 123.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 10.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 98' ' ' ASP . 3.6 t -90.87 171.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 10.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.561 ' H ' HG12 ' A' ' 97' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.577 1.173 . . . . 10.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' ALA . 4.7 p-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.357 -0.609 . . . . 10.0 109.357 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -79.6 157.03 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -146.76 162.62 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.386 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -140.39 144.2 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.34 150.74 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.595 ' SD ' HD11 ' A' ' 41' ' ' ILE . 22.3 mtt -85.05 89.53 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 10.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.46 -140.43 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 10.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -142.38 144.81 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 10.0 110.038 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -55.6 18.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 10.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -45.6 38.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 10.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.3 84.3 0.76 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.564 1.165 . . . . 10.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.12 145.22 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 10.0 109.372 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.89 60.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.85 128.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.397 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 82.6 m-85 -76.24 120.78 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 10.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -131.74 125.66 20.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 10.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.11 143.93 79.24 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.025 -2.489 . . . . 10.0 110.988 0.089 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -67.62 -47.24 70.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.87 136.85 47.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 10.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.8 m -143.01 136.6 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.66 142.72 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 10.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 97' ' ' VAL . 0.7 OUTLIER -140.57 -179.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -120.14 179.17 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.64 82.79 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 143.44 -14.09 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.447 1.092 . . . . 10.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.16 -178.19 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 10.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.7 OUTLIER -129.25 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.247 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.777 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 12.4 t -141.27 118.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 10.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -96.92 139.42 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 10.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.777 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.7 m-90 -124.7 100.04 6.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.62 1.2 . . . . 10.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' OG ' ' A' ' 68' ' ' SER . 9.8 p -88.33 142.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -83.62 118.22 23.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -97.63 -57.46 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.512 1.132 . . . . 10.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -172.15 -170.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 10.0 109.231 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp 68.28 70.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.359 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.67 161.3 46.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 10.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 164.09 89.2 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.968 -2.513 . . . . 10.0 110.998 0.077 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -176.96 148.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 10.0 109.658 -179.97 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.96 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.2 mp -123.33 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 27.5 t -84.4 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 10.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -108.71 148.57 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 10.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -103.71 155.03 18.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -98.91 77.18 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 10.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.24 106.85 17.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.99 -39.94 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 10.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.1 t -85.22 168.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 0.757 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.62 151.12 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -54.78 25.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.858 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -49.86 -49.86 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -51.41 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -53.84 -22.29 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.34 -50.2 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.633 1.208 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.42 76.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -82.96 -6.58 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.478 1.111 . . . . 10.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.4 t -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 10.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 5.2 m170 -82.53 103.1 11.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 10.0 109.627 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.39 -32.75 24.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.37 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.55 131.29 10.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 10.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' H ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -89.32 179.06 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 0.717 . . . . 10.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.43 157.87 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 10.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 22.6 m-85 -133.33 -47.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 10.0 111.029 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.3 136.84 36.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.41 77.9 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.82 -40.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 10.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.83 99.91 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.583 0.814 . . . . 10.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.421 ' OG ' HG23 ' A' ' 32' ' ' VAL . 1.4 m -111.56 138.16 48.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 10.0 110.015 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 57.4 m-85 -92.92 174.34 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -145.59 149.74 35.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.083 . . . . 10.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 8.9 p -145.42 129.59 17.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 10.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 28' ' ' GLU . 90.2 m -90.21 128.8 36.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 10.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.903 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-30 -96.4 99.66 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -96.63 -48.47 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 10.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.38 119.99 79.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.548 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -75.03 68.06 5.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 10.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.62 -138.55 5.22 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.481 1.113 . . . . 10.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.24 105.32 4.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 0.81 . . . . 10.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 56' ' ' LEU . 56.6 m-85 -88.88 147.64 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 10.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 m -142.67 150.07 39.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.185 . . . . 10.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 8.1 p90 -134.85 162.96 30.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -144.71 77.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' TYR . 53.1 t . . . . . 0 C--N 1.324 -0.543 0 O-C-N 124.398 1.061 . . . . 10.0 108.34 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.443 0.163 . . . . 10.0 111.02 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 93' ' ' GLY . 77.9 t 54.08 -101.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.637 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 61.4 119.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 10.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -144.86 159.05 43.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 10.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.7 t -121.84 156.0 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 10.0 109.406 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 23' ' ' ILE . 70.3 t -131.4 131.56 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 10.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.7 t -100.88 148.81 6.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.504 1.128 . . . . 10.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.297 -179.995 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.275 -0.639 . . . . 10.0 109.275 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -140.57 148.05 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.2 t -137.38 155.92 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -143.18 138.18 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 10.0 109.211 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -99.07 110.96 23.48 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.533 1.146 . . . . 10.0 109.218 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.59 ' HE1' HD11 ' A' ' 41' ' ' ILE . 10.0 mtt -35.79 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 10.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 177.17 51.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.401 1.063 . . . . 10.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 15' ' ' VAL . 28.7 m -142.23 131.28 23.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.729 . . . . 10.0 110.041 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 60.0 12.68 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 35' ' ' LYS . 4.8 t 50.26 52.15 15.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.427 ' CA ' HD21 ' A' ' 36' ' ' LEU . . . -167.79 -44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 10.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.01 146.48 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 10.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -104.07 104.77 14.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 10.0 109.244 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' OG ' ' A' ' 9' ' ' SER . 17.2 m -148.78 -170.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 16' ' ' PHE . 1.2 p90 -145.07 111.11 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 10.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -143.06 141.96 20.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 10.0 110.308 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.95 133.68 32.49 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.048 -2.48 . . . . 10.0 110.971 0.037 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 91.2 p -38.17 -53.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 10.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -114.47 150.89 34.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 10.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.5 m -140.37 161.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.05 138.35 41.39 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.543 1.152 . . . . 10.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.996 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.04 162.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 10.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 mmtt -111.95 158.12 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.232 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 101.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 10.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.73 -20.24 7.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 10.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -75.0 -179.07 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 10.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -137.26 172.31 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 2.3 t -130.93 162.39 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 10.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 5.3 ttmt -128.89 122.89 31.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.415 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 21.2 m-90 -108.24 99.81 9.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.965 -1.124 . . . . 10.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.88 144.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 10.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -86.01 136.91 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 10.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.66 -54.81 2.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 10.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 1.1 tttm -178.8 -170.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.432 1.083 . . . . 10.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.18 55.34 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 10.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.42 161.24 49.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 10.0 109.975 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.975 -2.51 . . . . 10.0 110.978 -0.014 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.27 130.08 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 109.645 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.472 HD21 HD12 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -129.64 123.75 32.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 10.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.641 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -99.0 67.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 10.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 38.3 t -78.56 137.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 10.0 109.394 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.641 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.9 m-85 -110.96 134.12 52.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 10.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -87.36 163.86 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.489 1.118 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.69 75.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 10.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.67 -81.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.71 86.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 10.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.77 158.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.04 166.82 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.192 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.55 -56.11 5.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 10.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.62 -54.77 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 m -51.73 -41.86 61.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 10.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -64.67 -33.37 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.79 64.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -33.8 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 10.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.815 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.32 -9.01 46.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 10.0 109.353 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 13.3 t -82.89 138.19 33.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 10.0 109.894 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.542 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.8 m-70 -100.09 99.93 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 10.0 109.633 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 38.17 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.91 -42.58 1.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 10.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.485 HD22 ' CE2' ' A' ' 63' ' ' PHE . 4.1 tt 80.82 135.34 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 10.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.63 135.4 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 10.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 61' ' ' LEU . 9.4 m-85 -118.06 -67.41 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 10.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 162.18 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.61 1.193 . . . . 10.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.16 92.66 6.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 10.0 109.376 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.5 -32.48 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 10.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.16 124.1 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 10.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -123.8 161.85 24.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 35.4 m-85 -117.65 174.05 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 10.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.2 m -145.78 149.46 34.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 10.0 110.418 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -145.34 130.11 18.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 10.0 109.99 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HD21 ' A' ' 56' ' ' LEU . 31.8 m -99.36 116.59 31.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 10.0 110.322 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.746 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -81.65 99.07 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -17.32 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -110.66 123.71 34.94 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.44 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.05 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.94 -152.22 5.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 10.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m -127.58 100.72 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.815 ' CD2' HD12 ' A' ' 56' ' ' LEU . 68.2 m-85 -81.32 138.35 35.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 10.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 m -120.12 139.73 52.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 10.0 110.479 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 34.9 p90 -139.46 153.77 47.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.777 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -161.25 166.32 27.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 108.342 179.964 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.497 0.189 . . . . 10.0 110.993 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -108.94 -20.29 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 10.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -38.34 142.1 0.37 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.645 1.215 . . . . 10.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.76 170.6 15.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 10.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 96' ' ' VAL . 22.0 t -114.93 162.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 95' ' ' VAL . 46.4 t -141.91 122.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.319 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -109.84 110.09 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 10.0 109.227 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.37 179.918 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.352 -0.61 . . . . 10.0 109.352 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -112.57 119.65 38.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -115.2 150.05 36.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.963 HG11 ' CD1' ' A' ' 16' ' ' PHE . 49.1 t -132.96 152.17 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -96.86 96.65 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 41' ' ' ILE . 11.4 mtt -34.47 -49.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 10.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.18 173.07 14.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.414 ' OG ' HG22 ' A' ' 15' ' ' VAL . 14.9 m -94.96 140.95 29.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.783 . . . . 10.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.6 -46.05 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -52.22 -70.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.073 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 58.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.9 -175.63 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 10.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.626 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -136.23 64.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 10.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' OG ' ' A' ' 9' ' ' SER . 24.6 m -121.32 137.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.963 ' CD1' HG11 ' A' ' 5' ' ' VAL . 71.3 t80 -92.26 106.23 18.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 10.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tp10 -126.15 137.03 29.39 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.92 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 141.08 70.65 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.996 0.025 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 t -42.07 -50.03 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.984 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.3 m -119.69 125.35 48.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 10.0 110.375 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.92 HG12 ' HG2' ' A' ' 18' ' ' PRO . 4.5 m -119.5 141.98 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.95 132.85 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.181 . . . . 10.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.778 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.19 164.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 10.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 22.1 mtmt -109.6 156.34 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.85 93.18 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 134.41 -27.3 3.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 10.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 76.9 mm-40 -73.95 -179.56 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 10.0 110.367 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.1 pm0 -134.5 175.65 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' ALA . 2.0 t -132.3 132.11 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -95.29 130.62 41.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 15.4 m-90 -114.8 100.23 8.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 10.0 107.988 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -87.7 137.57 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 57.6 t30 -86.37 100.43 12.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.64 -71.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 10.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -170.29 -172.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 10.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 65.13 65.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -81.52 161.51 61.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 10.0 109.974 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.96 -172.97 11.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.501 . . . . 10.0 110.983 -0.016 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -151.61 114.27 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.561 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -119.07 142.45 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 10.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.677 HG22 ' CE1' ' A' ' 43' ' ' PHE . 8.0 mt -126.11 71.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.06 137.24 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.237 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -108.46 127.09 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 10.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.44 175.24 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.95 70.49 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 10.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.99 70.17 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -20.12 41.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -101.32 152.2 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.21 149.32 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -57.7 -60.78 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -58.0 3.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 10.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.5 m -50.64 -37.92 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 110.395 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -66.89 -31.04 71.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.72 -20.79 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -38.24 17.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 10.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.841 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -88.61 -9.74 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.3 t -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 10.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 13.2 m-70 -103.89 99.47 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 10.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.04 34.0 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.24 -147.01 15.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 10.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.52 119.7 1.23 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 0.77 . . . . 10.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 33' ' ' ASN . . . -97.92 129.39 44.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 10.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -123.11 -70.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.11 142.27 39.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.12 80.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.34 -38.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 10.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.48 102.17 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 10.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 p -111.39 149.03 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 10.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.9 m-85 -100.78 170.07 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -146.63 141.48 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.48 ' HG ' ' HH2' ' A' ' 31' ' ' TRP . 5.4 p -137.62 127.52 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 110.038 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.545 ' O ' HD21 ' A' ' 56' ' ' LEU . 27.5 m -95.2 132.41 40.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 10.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.8 m-85 -100.0 98.36 9.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -42.01 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.62 125.09 60.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 89.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.83 -142.8 4.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 10.0 111.069 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -137.85 106.49 5.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 0.766 . . . . 10.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.841 ' CD2' HD12 ' A' ' 56' ' ' LEU . 77.4 m-85 -90.51 138.97 31.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 10.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.7 m -126.9 145.07 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' A' ' 16' ' ' PHE . 9.9 p90 -146.19 -179.52 6.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 10.0 110.975 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 5.2 p90 -164.28 140.12 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 108.312 179.97 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.475 0.179 . . . . 10.0 110.975 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.809 HG22 ' H ' ' A' ' 93' ' ' GLY . 2.9 p 44.11 -165.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.809 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 107.38 139.77 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 10.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 156.1 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.11 152.13 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.88 121.67 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 10.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.778 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -95.69 135.63 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 109.364 179.923 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.361 -0.607 . . . . 10.0 109.361 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.34 163.1 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 14.8 t -144.35 166.84 23.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 10.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -144.79 156.59 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 10.0 109.356 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.99 132.22 56.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -75.2 86.89 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 111.02 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 178.14 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 10.0 111.061 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.51 159.99 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 10.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -54.24 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -61.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.382 1.052 . . . . 10.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.88 47.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 10.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 151.3 41.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.344 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 pp -82.99 91.59 7.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 14' ' ' LEU . 15.1 m -157.95 127.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 36.9 m-85 -80.19 117.93 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.1 tp10 -135.86 131.77 19.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 10.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 134.08 34.3 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 10.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 70.1 p -53.83 -53.75 48.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 110.052 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -104.08 140.18 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 110.454 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.4 m -143.55 162.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.38 142.69 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.932 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -145.51 159.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 10.0 109.307 179.915 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.932 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -115.4 166.89 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 10.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.99 134.43 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 10.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.66 -19.2 34.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.558 1.161 . . . . 10.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.99 -179.25 4.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 10.0 110.262 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -138.57 170.78 15.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -128.87 162.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.7 ttmm -126.18 131.68 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 24.1 m-90 -118.53 99.74 7.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' HD3' ' A' ' 30' ' ' LYS . 54.1 t -93.01 139.78 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -84.06 138.63 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.399 1.062 . . . . 10.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -108.93 -61.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 10.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 -177.67 3.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mp 75.63 70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 58.6 p -96.54 151.27 37.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.6 Cg_endo -74.94 -173.7 12.76 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.023 -2.491 . . . . 10.0 110.99 -0.011 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -155.33 148.62 24.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 10.0 109.669 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 14.1 t-20 -146.54 154.87 42.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 10.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.9 mt -131.51 61.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 10.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 54.5 t -74.83 134.82 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -104.4 142.45 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 10.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.31 152.81 20.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 10.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.29 76.76 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 10.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -105.27 98.88 8.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 10.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.32 -20.93 27.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 10.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.94 154.21 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.754 . . . . 10.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.02 156.13 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.7 -49.79 19.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -51.68 -64.21 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 10.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -43.42 -58.44 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.16 -37.98 56.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -53.77 -52.88 58.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -45.61 89.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.941 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -70.11 -12.53 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 10.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -80.01 121.91 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 10.0 109.906 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 12.5 m170 -74.43 103.15 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 10.0 109.664 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 40.08 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 10.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.79 -36.65 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 10.0 111.039 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.45 124.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 10.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -126.16 129.43 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 10.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.5 p90 -132.69 -43.52 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 10.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 113.64 18.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.0 109.273 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.45 126.23 9.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.42 -44.55 1.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 10.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.87 121.28 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 0.807 . . . . 10.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -130.48 135.08 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 62.4 m-85 -98.59 175.98 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 29' ' ' VAL . 88.1 m -145.58 152.31 39.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 10.0 110.395 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.5 m -130.36 164.1 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 10.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.609 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.7 m -133.0 123.05 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 10.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -103.37 98.54 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -76.8 -52.85 8.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 10.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.4 mt-10 -88.93 132.5 37.98 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.468 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.0 98.31 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 10.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.06 -139.49 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 m -145.42 102.12 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 10.0 110.448 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CE2' HD13 ' A' ' 56' ' ' LEU . 43.0 m-85 -85.61 157.27 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 63.2 m -134.57 145.79 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 10.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 7.4 p90 -147.04 167.96 22.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 10.0 111.024 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 6.7 p90 -163.15 -164.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 10.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 10.0 108.275 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.558 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 2.1 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.568 0.223 . . . . 10.0 111.02 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 93' ' ' GLY . 78.4 t -81.91 -90.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 59.93 125.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.585 1.178 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -136.86 156.55 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 10.0 109.197 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -104.21 146.87 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.24 132.77 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.233 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.633 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.5 t -103.86 169.6 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 10.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' H ' HG12 ' A' ' 97' ' ' VAL . 24.7 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.297 -0.631 . . . . 10.0 109.297 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.77 150.85 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 145.89 45.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 10.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.684 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 12.1 t -137.78 128.62 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 10.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 144.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.646 1.216 . . . . 10.0 109.242 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.558 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.92 75.4 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 10.0 110.982 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.83 -140.26 11.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 10.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.73 151.02 38.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 10.0 110.063 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -45.14 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 10.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -60.45 -63.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 10.0 109.986 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 10.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 36' ' ' LEU . . . -118.63 -173.42 2.47 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 0.752 . . . . 10.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -114.14 -48.3 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 109.321 179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -44.69 134.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.684 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -75.35 139.95 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -144.72 127.65 8.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.577 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 134.02 34.06 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.066 -2.473 . . . . 10.0 110.997 -0.064 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 10.0 110.07 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -107.98 140.26 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.577 HG12 ' HG2' ' A' ' 18' ' ' PRO . 10.6 m -138.01 150.17 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.87 143.25 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.572 1.17 . . . . 10.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.9 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -138.78 152.88 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.204 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.9 ' H ' HD13 ' A' ' 23' ' ' ILE . 5.2 mttt -105.14 141.11 37.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 124.75 -16.99 7.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 10.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 72' ' ' THR . 1.1 mm-40 -75.32 -179.76 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 10.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.5 mt-10 -125.51 171.79 10.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 10.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.69 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.9 t -141.55 135.29 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -104.89 131.68 52.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 10.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.69 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 14.7 m-90 -116.97 99.2 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.99 147.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 10.0 109.209 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -84.09 125.8 32.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.31 -62.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 10.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.1 OUTLIER 179.95 -172.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 10.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 13' ' ' ALA . 11.0 mp 66.01 45.05 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 10.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.522 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.97 162.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.056 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.89 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.028 -2.488 . . . . 10.0 111.028 -0.162 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 1.7 m-70 69.38 100.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.589 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 2.9 m120 -106.02 171.09 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.1 mt -125.97 57.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.349 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 61.7 t -77.09 135.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 10.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 41' ' ' ILE . 8.4 m-85 -109.64 135.47 50.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 10.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.99 152.64 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 10.0 109.206 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.58 72.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 10.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.86 101.44 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.345 1.028 . . . . 10.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -40.85 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 10.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 49' ' ' ASP . 22.6 t -83.42 165.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 10.0 109.386 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.8 m-20 -63.21 156.84 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.199 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.82 -56.5 5.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 10.0 109.237 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.692 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -44.8 -59.94 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 10.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -48.53 -50.45 31.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 10.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.34 -29.44 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.307 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.23 -51.7 67.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.004 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -71.76 -11.26 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t -86.62 135.34 33.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 10.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 35.3 m-70 -109.32 100.1 9.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 10.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -94.3 39.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 10.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -121.1 139.23 13.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.449 1.093 . . . . 10.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.46 130.52 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.261 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.87 155.33 19.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 10.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 23.6 m-85 -156.71 -51.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 10.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -74.54 121.22 21.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.51 74.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . -171.94 -39.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 10.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.31 99.9 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 10.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.9 p -109.34 150.6 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 10.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -107.63 174.45 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 10.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.1 m -145.33 152.92 40.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 10.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' HD23 ' A' ' 56' ' ' LEU . 3.4 p -144.5 -179.92 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 10.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' GLU . 20.5 m -146.56 144.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 10.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -115.1 98.42 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 10.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 -46.88 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 10.0 110.427 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 126.44 68.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 10.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.484 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 84.4 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 10.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.49 -144.12 4.68 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 10.0 110.967 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -138.91 109.96 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 10.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 1.004 ' CE2' HD13 ' A' ' 56' ' ' LEU . 52.5 m-85 -90.94 160.93 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.4 m -141.96 150.3 41.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 10.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 24.2 p90 -144.62 157.78 44.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 10.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 2.0 p90 -167.41 117.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 108.254 -179.98 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 38.5 ttp . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.505 0.193 . . . . 10.0 111.01 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 93' ' ' GLY . 7.1 t 71.98 169.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.475 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 119.19 121.66 3.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 10.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -144.91 164.35 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 10.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.19 157.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.48 127.78 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 10.0 109.426 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.4 t -94.97 118.15 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.098 . . . . 10.0 109.293 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -142.6 172.54 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 10.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -142.76 138.64 30.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 10.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.5 t -137.36 147.5 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 10.0 110.424 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.836 ' CG2' HG11 ' A' ' 21' ' ' VAL . 24.9 t -140.66 123.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 10.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.92 129.67 34.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.081 . . . . 10.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.565 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 14.8 mtt -70.99 77.57 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 10.0 110.95 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.82 169.2 20.03 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.521 1.138 . . . . 10.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.5 t -100.57 160.68 14.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 10.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -59.09 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 10.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -39.48 -50.65 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 10.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.89 59.04 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.52 1.137 . . . . 10.0 110.971 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.65 165.01 11.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 10.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.25 -63.05 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 10.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' H ' HG13 ' A' ' 15' ' ' VAL . 5.9 m -40.48 144.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.703 ' CZ ' ' CE ' ' A' ' 91' ' ' MET . 20.7 m-85 -86.48 149.08 25.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 10.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -142.2 143.1 26.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 10.0 110.338 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.843 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 134.28 35.22 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.003 -2.499 . . . . 10.0 110.979 0.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.3 m -38.42 -51.16 1.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 10.0 110.009 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.1 m -114.94 138.23 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 10.0 110.366 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' PRO . 3.8 m -136.52 136.27 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 10.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.63 138.74 39.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.533 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -141.16 161.79 22.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 10.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 1.4 mmtp -107.03 151.45 25.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 10.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -70.27 93.47 0.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 10.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 129.6 -17.67 5.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.466 1.104 . . . . 10.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 47.9 mm-40 -74.71 176.28 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 0.774 . . . . 10.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.2 mt-10 -122.85 163.67 19.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 10.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.0 t -125.75 160.42 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 10.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.8 ttpt -135.63 124.42 23.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 12.6 m-90 -109.59 99.51 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 10.0 107.98 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.1 t -80.3 138.69 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 10.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.418 HD22 ' HB1' ' A' ' 62' ' ' ALA . 6.7 t-20 -79.8 120.33 23.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 10.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -99.03 -57.44 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 10.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -177.4 -164.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 10.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 65.56 70.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 10.0 109.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.544 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.83 162.69 39.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 10.0 109.98 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.582 ' HB2' HD11 ' A' ' 61' ' ' LEU . 18.4 Cg_endo -75.03 168.9 76.06 Favored 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.001 -0.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -178.72 166.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 10.0 109.55 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -152.03 175.42 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.638 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -118.76 96.51 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 109.332 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.8 t -93.56 131.25 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.638 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -108.48 137.44 46.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.08 153.08 18.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 10.0 109.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.797 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.35 79.12 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 10.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.98 -73.14 0.6 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 10.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.71 15.26 60.9 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.131 . . . . 10.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.586 HG11 ' CE2' ' A' ' 79' ' ' TYR . 57.5 t -133.0 166.55 29.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 10.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -64.36 157.76 25.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 10.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.57 -69.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.778 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -40.85 -51.2 3.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 10.0 109.306 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 58.7 m -50.38 -67.66 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 10.0 110.414 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -43.42 -44.23 5.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.778 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -40.29 -67.52 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 10.0 109.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -47.11 -55.24 8.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 10.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.837 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -53.74 -26.04 21.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 p -78.14 122.7 25.98 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 10.0 110.005 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.482 ' NE2' ' CZ3' ' A' ' 31' ' ' TRP . 42.1 m-70 -93.88 100.63 12.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 109.646 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.36 36.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 10.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.61 -136.73 9.43 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.471 1.107 . . . . 10.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.959 HD12 ' CE1' ' A' ' 63' ' ' PHE . 0.2 OUTLIER -175.35 107.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 10.0 109.321 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -95.79 128.53 42.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.959 ' CE1' HD12 ' A' ' 61' ' ' LEU . 44.0 m-85 -123.15 -55.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 10.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.73 151.04 27.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 10.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.57 74.69 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.73 -42.32 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 10.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -75.23 108.0 7.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.55 131.79 56.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 10.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 30.0 m-85 -83.7 179.29 7.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 10.0 111.009 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 29' ' ' VAL . 69.4 m -144.36 151.4 39.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.152 . . . . 10.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.579 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.7 t -136.86 166.27 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 10.0 109.992 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.406 HG23 ' HG3' ' A' ' 28' ' ' GLU . 6.5 m -139.98 122.31 16.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.665 ' CE1' HD21 ' A' ' 56' ' ' LEU . 5.1 m-85 -100.93 98.85 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.63 -55.7 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 10.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.16 131.6 72.2 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 10.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.434 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.97 86.39 1.42 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.439 1.757 . . . . 10.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.22 -144.74 4.62 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.459 1.1 . . . . 10.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 95' ' ' VAL . 15.8 m -143.36 102.08 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 0.781 . . . . 10.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.837 ' CE2' HD13 ' A' ' 56' ' ' LEU . 61.7 m-85 -84.33 148.07 26.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 10.0 111.026 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.1 m -132.29 153.65 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 10.0 110.38 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 3.8 p90 -148.2 158.2 43.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 10.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 4.4 p90 -150.57 136.56 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 110.992 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.432 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 0.1 OUTLIER -71.18 116.79 11.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 10.0 108.306 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 4.0 mt-10 -77.59 -51.69 1.83 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 10.0 110.28 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -75.0 -88.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.494 1.786 . . . . 10.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.645 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 0.8 OUTLIER 52.09 -164.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.108 . . . . 10.0 109.643 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -160.86 55.16 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 10.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.27 -102.08 0.16 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.485 1.116 . . . . 10.0 110.944 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.73 74.21 1.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 10.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 38.95 -155.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 10.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.01 ' HE1' 'CU ' ' A' ' 99' ' ' ' CU' . 44.0 mtm -155.04 153.47 31.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.75 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.4 m -118.84 130.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 10.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.64 138.37 2.44 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 10.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -142.82 172.62 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 0.77 . . . . 10.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' ' 78' ' ' THR . 40.1 t -120.46 164.72 16.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 10.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.459 ' N ' HG12 ' A' ' 95' ' ' VAL . 54.1 t -145.97 133.7 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -104.74 147.88 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 10.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 10.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . 1.01 'CU ' ' HE1' ' A' ' 91' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -75.2 141.02 43.65 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.501 1.126 . . . . 10.0 109.235 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.858 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -120.3 137.74 54.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 10.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.0 t -145.12 149.1 34.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 110.424 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.71 140.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.217 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -97.33 120.42 37.65 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.411 1.069 . . . . 10.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.765 ' HE1' HD11 ' A' ' 41' ' ' ILE . 71.6 mtm -70.02 79.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 10.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.55 -159.62 18.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.526 1.141 . . . . 10.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.486 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 6.1 m -136.62 149.68 48.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 10.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -54.31 -59.04 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 10.0 109.237 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.11 -59.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.578 1.174 . . . . 10.0 110.017 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 136.57 74.75 0.07 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 10.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -148.9 162.6 39.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 0.794 . . . . 10.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -97.07 78.26 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.181 . . . . 10.0 109.343 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.486 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 33.2 m -131.88 168.17 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 2.8 p90 -131.52 111.96 12.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.565 1.166 . . . . 10.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 7.5 mt-10 -139.05 140.89 28.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.365 1.04 . . . . 10.0 110.351 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.832 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.14 134.37 35.6 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.996 -2.502 . . . . 10.0 111.006 0.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.428 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 3.3 t -38.53 -53.04 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 10.0 109.949 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.414 HG23 ' HG3' ' A' ' 94' ' ' LYS . 4.4 m -118.26 146.49 44.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 110.393 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.832 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.4 m -136.35 147.38 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 10.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.85 141.66 30.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 10.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.956 HD12 HG23 ' A' ' 29' ' ' VAL . 6.7 tt -145.3 157.83 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -93.44 171.63 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 10.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.71 85.97 7.31 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.097 . . . . 10.0 109.294 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 139.62 -11.64 3.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 10.0 110.968 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -78.84 -179.21 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 0.731 . . . . 10.0 110.328 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 71' ' ' SER . 5.1 mt-10 -128.25 161.71 28.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 10.0 110.343 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.956 HG23 HD12 ' A' ' 23' ' ' ILE . 3.7 t -119.95 157.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.394 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.79 123.84 30.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 10.0 109.284 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.709 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.3 m-90 -112.98 99.87 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.02 -1.104 . . . . 10.0 108.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -87.8 135.19 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 10.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -80.66 112.48 18.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -77.32 -66.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 10.0 109.221 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.96 -166.54 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 10.0 109.283 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 HD21 ' A' ' 14' ' ' LEU . 4.3 mm? 65.74 61.01 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 10.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.509 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.4 OUTLIER -84.4 160.92 55.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 10.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.07 174.23 53.82 Favored 'Cis proline' 0 C--N 1.359 1.119 0 C-N-CA 120.966 -2.514 . . . . 10.0 111.055 0.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -142.61 146.63 34.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 10.0 109.609 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.437 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 11.9 t-20 -145.48 145.69 31.18 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.577 1.173 . . . . 10.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.8 mt -123.97 68.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 10.0 109.377 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.3 t -81.78 145.54 8.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 10.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.809 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.0 m-85 -120.8 128.09 52.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.606 1.191 . . . . 10.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.449 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -83.02 146.55 28.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.397 1.061 . . . . 10.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -102.03 82.16 2.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.42 -65.47 0.96 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.495 1.122 . . . . 10.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.13 22.92 37.35 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.462 1.101 . . . . 10.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.77 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -138.73 165.48 24.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 0.772 . . . . 10.0 109.27 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.23 -179.38 1.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.59 -62.22 1.6 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 10.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -46.7 -50.18 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 10.0 109.272 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.5 m -54.92 -66.62 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.443 1.089 . . . . 10.0 110.346 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -47.2 -31.3 3.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 10.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.42 -55.84 28.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.22 -52.77 63.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.861 HD22 ' CE2' ' A' ' 79' ' ' TYR . 7.7 mp -64.63 -17.69 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 10.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.2 t -84.7 128.18 34.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 10.0 109.942 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.5 m-70 -102.5 101.16 11.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 109.66 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.88 -40.24 40.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 10.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.64 121.13 19.12 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.605 1.191 . . . . 10.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -79.74 151.05 30.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 0.729 . . . . 10.0 109.242 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.52 153.59 18.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.08 . . . . 10.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -141.41 -60.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 10.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.92 128.35 35.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 1.159 . . . . 10.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.12 86.79 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 10.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.13 -33.73 0.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 10.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.56 100.02 9.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 10.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 75.2 p -106.76 153.59 22.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 10.0 109.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 22.6 m-85 -106.59 173.29 6.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 10.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.0 m -144.38 150.92 38.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 10.0 110.408 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.441 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 20.3 p -139.73 165.99 25.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 10.0 109.969 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.2 m -123.14 130.36 52.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 10.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.914 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-85 -104.03 98.24 8.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.137 . . . . 10.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -93.39 -42.97 8.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 10.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -78.84 120.49 81.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 10.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.0 64.07 6.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 10.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.28 -141.45 5.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.144 . . . . 10.0 111.027 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 95' ' ' VAL . 3.1 m -140.56 117.6 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 10.0 110.44 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.861 ' CE2' HD22 ' A' ' 56' ' ' LEU . 60.2 m-85 -99.38 156.48 16.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 111.07 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.5 m -131.84 148.39 52.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 10.0 110.374 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -153.34 169.12 23.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 10.0 111.0 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.449 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -177.59 177.17 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 10.0 110.97 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 86' ' ' HIS . 35.9 m -97.19 123.08 40.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 10.0 108.311 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -79.4 -50.1 1.35 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 10.0 110.409 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 17.9 Cg_endo -74.97 1.12 8.07 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.516 1.798 . . . . 10.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 83' ' ' CYS . 2.5 t60 -49.45 134.58 18.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.654 1.221 . . . . 10.0 109.616 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -119.83 79.77 1.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 10.0 110.348 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.539 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -172.72 -105.84 0.19 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.547 1.155 . . . . 10.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 172.94 88.49 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.74 . . . . 10.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 140.62 -152.84 23.27 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.416 1.073 . . . . 10.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.559 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 58.85 90.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 0.789 . . . . 10.0 110.954 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.56 HG23 ' H ' ' A' ' 93' ' ' GLY . 14.1 m -137.8 -58.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 10.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.56 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 58.71 156.97 0.02 OUTLIER Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.505 1.128 . . . . 10.0 110.954 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HG3' HG23 ' A' ' 20' ' ' THR . 0.8 OUTLIER -144.2 156.32 44.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 78' ' ' THR . 2.2 t -119.7 157.42 21.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.386 1.054 . . . . 10.0 109.342 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.0 t -136.98 117.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.594 1.184 . . . . 10.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.914 HG22 ' CD2' ' A' ' 73' ' ' PHE . 8.9 t -75.15 160.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 10.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ILE . 35.9 t70 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 10.0 109.28 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.341 -0.614 . . . . 10.0 109.341 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -76.04 144.22 40.96 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 10.0 109.288 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.643 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -88.37 127.46 35.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 10.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 t -117.77 148.32 42.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.499 1.125 . . . . 10.0 110.407 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 5.5 t -135.6 129.89 49.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.472 1.107 . . . . 10.0 109.318 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.06 137.18 36.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.568 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 46.5 mtt -73.43 101.65 3.55 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 10.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.75 -140.56 15.08 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.579 1.174 . . . . 10.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.614 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.4 m -143.81 154.91 43.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 10.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -55.93 -53.94 50.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 10.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.13 -58.38 7.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 10.0 109.947 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.41 80.74 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.448 1.093 . . . . 10.0 111.039 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -136.07 165.58 25.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.386 0.698 . . . . 10.0 109.215 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.663 HD11 HD12 ' A' ' 36' ' ' LEU . 1.5 mm? -92.19 -56.47 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 10.0 109.3 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.0 m -40.35 139.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 10.0 109.367 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 2.6 m-85 -77.61 141.03 39.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 10.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.0 tt0 -140.5 130.82 13.62 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.463 1.102 . . . . 10.0 110.371 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.96 133.42 31.32 Favored 'Cis proline' 0 C--N 1.359 1.113 0 C-N-CA 121.017 -2.493 . . . . 10.0 111.009 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -49.01 -52.92 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -104.97 143.56 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 10.0 110.46 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.2 m -145.08 171.84 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 10.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.55 138.55 50.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.667 HD12 HG23 ' A' ' 29' ' ' VAL . 1.4 tt -145.44 152.94 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.0 mttm -90.47 160.47 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 10.0 109.358 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.77 109.26 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 10.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.85 -17.75 17.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 10.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -74.28 179.65 4.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 10.0 110.239 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.3 pm0 -126.75 173.61 9.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.56 1.162 . . . . 10.0 110.286 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.85 ' O ' HG23 ' A' ' 70' ' ' THR . 2.2 t -130.84 163.47 36.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 10.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 9.4 ttmt -133.19 130.38 39.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 5.8 m-90 -120.6 102.26 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 108.03 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.5 t -89.72 132.71 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -77.05 131.82 38.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 10.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -112.47 -67.59 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.087 . . . . 10.0 109.354 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.37 -166.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 10.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 14' ' ' LEU . 4.5 mm? 63.93 68.76 0.56 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 10.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.512 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.5 OUTLIER -125.0 161.26 50.29 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 10.0 109.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.04 171.44 68.11 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.998 -2.501 . . . . 10.0 110.967 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 2.9 p80 -176.6 132.2 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.565 1.166 . . . . 10.0 109.585 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.4 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 3.9 m-20 -105.74 177.28 4.9 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 10.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.736 HG22 ' CE1' ' A' ' 43' ' ' PHE . 11.7 mt -134.0 66.01 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 10.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.3 t -79.67 130.51 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 10.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.736 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -101.22 130.89 47.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 10.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -81.74 148.45 28.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.25 79.9 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.589 1.181 . . . . 10.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -95.99 -74.04 0.57 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 10.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -88.15 4.2 85.5 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 10.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ASP . 34.0 t -120.54 164.08 17.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 O-C-N 124.45 0.735 . . . . 10.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . 37.4 m-20 -68.89 165.89 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 10.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.77 -70.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 10.0 109.267 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.788 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -40.36 -55.9 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -49.15 -61.0 2.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 10.0 110.365 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -55.23 -22.14 16.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 10.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.88 -29.71 66.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 10.0 109.253 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 ttpp -88.35 -22.76 23.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.392 1.057 . . . . 10.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.832 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -94.94 -10.74 30.19 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.387 1.054 . . . . 10.0 109.283 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 53' ' ' ALA . 2.0 t -88.57 140.65 29.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.44 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.1 m-70 -113.29 99.33 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 10.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -42.52 -37.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 10.0 109.198 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 116.4 131.99 4.87 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.458 1.099 . . . . 10.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -172.97 34.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 10.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' C ' ' CG ' ' A' ' 63' ' ' PHE . . . -106.41 136.66 45.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 10.0 109.349 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.468 ' CG ' ' C ' ' A' ' 62' ' ' ALA . 36.0 m-85 -158.61 -49.38 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 10.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -89.43 136.61 32.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 10.0 109.259 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.79 84.64 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 10.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.91 -36.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.49 1.119 . . . . 10.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -78.69 133.33 37.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 10.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m -129.11 146.3 51.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.429 1.081 . . . . 10.0 110.063 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.492 ' HD2' HD12 ' A' ' 41' ' ' ILE . 22.1 m-85 -100.98 168.58 9.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 10.0 110.999 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.85 HG23 ' O ' ' A' ' 29' ' ' VAL . 29.4 m -145.01 149.76 35.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 10.0 110.386 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 1.9 t -141.09 141.27 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 10.0 110.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m -115.45 108.72 16.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.598 1.186 . . . . 10.0 110.401 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.743 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.5 m-85 -84.34 99.65 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 10.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -79.37 -47.32 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 10.0 110.311 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.82 127.24 58.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 10.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.87 88.7 1.2 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 10.0 111.005 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -138.08 -141.58 4.2 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 10.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.7 m -141.99 100.57 3.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 10.0 110.331 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.832 ' CE2' HD12 ' A' ' 56' ' ' LEU . 55.9 m-85 -82.65 151.34 26.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 10.0 110.976 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 25.0 m -131.14 144.38 51.34 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.497 1.123 . . . . 10.0 110.384 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 81' ' ' TYR . 12.8 p90 -150.62 158.54 44.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 10.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.74 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p90 -160.29 -177.85 6.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 10.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.523 ' HB3' ' CG ' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -123.72 94.94 4.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.581 1.175 . . . . 10.0 108.277 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.8 mt-10 -52.09 -52.11 65.18 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 10.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.96 -86.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.572 1.828 . . . . 10.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.548 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 66.15 -167.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 10.0 109.598 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -75.27 -46.63 32.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.421 1.075 . . . . 10.0 110.316 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 145.94 53.93 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.515 1.134 . . . . 10.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.09 -76.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.75 . . . . 10.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.02 162.01 12.21 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.57 1.169 . . . . 10.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.491 ' CE ' ' CE2' ' A' ' 16' ' ' PHE . 3.9 ttt -146.73 108.74 4.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 10.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.2 m -110.53 153.31 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 10.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.94 134.86 1.95 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.597 1.185 . . . . 10.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 pttt -135.99 164.83 27.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.567 0.804 . . . . 10.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.33 153.41 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 10.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.8 t -135.83 118.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.463 1.102 . . . . 10.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.443 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.9 t -88.64 160.18 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' ILE . 2.6 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 10.0 109.224 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -114.68 152.98 31.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 10.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.746 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -103.25 136.11 43.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.586 1.179 . . . . 10.0 109.38 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.8 t -126.99 145.61 50.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 10.0 110.466 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -133.89 142.38 41.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 10.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.2 OUTLIER -96.44 104.55 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.551 1.157 . . . . 10.0 109.365 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.521 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 0.5 OUTLIER -36.92 -66.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 10.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.451 ' CA ' ' HB3' ' A' ' 34' ' ' ASN . . . -92.02 -150.59 26.03 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 10.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.487 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -144.65 163.97 32.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 109.972 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.38 -40.95 96.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 10.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' GLY . 23.3 m -88.4 42.42 1.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 10.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' SER . . . 37.33 53.98 1.67 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.455 1.097 . . . . 10.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -111.13 121.59 45.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 10.0 109.327 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.07 HD13 ' HB1' ' A' ' 89' ' ' ALA . 1.9 pp -75.16 58.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 10.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.86 134.21 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 10.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 19' ' ' SER . 45.9 p90 -97.77 108.79 21.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 10.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.99 141.24 38.91 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 10.0 110.28 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.97 139.66 62.96 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.04 -2.483 . . . . 10.0 111.046 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.585 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 16.6 p -36.6 -48.19 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 10.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -122.44 151.15 41.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 10.0 110.353 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.679 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -138.2 144.21 31.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 10.0 109.328 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.746 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.3 p -86.49 143.73 27.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 10.0 110.42 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.856 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.38 171.16 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 10.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.678 ' O ' HD13 ' A' ' 23' ' ' ILE . 10.5 mmtt -117.28 145.57 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.375 1.047 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' N ' ' CG1' ' A' ' 97' ' ' VAL . . . -62.4 100.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 10.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 121.29 -15.45 9.31 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.543 1.152 . . . . 10.0 110.959 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -74.89 -179.55 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 10.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -125.55 162.13 25.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 10.0 110.237 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.652 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 7.1 t -130.3 133.29 64.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 10.0 109.308 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -105.85 129.66 53.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 10.0 109.35 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 7.1 m-90 -116.13 99.28 7.13 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.048 -1.094 . . . . 10.0 108.048 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -79.54 135.84 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 10.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -78.34 99.72 6.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.61 1.194 . . . . 10.0 109.359 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -68.98 -60.03 2.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 10.0 109.317 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -174.78 -166.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 64.34 70.3 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.167 . . . . 10.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.488 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.5 m -95.85 160.23 30.62 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 10.0 109.964 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.488 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.03 -60.25 0.09 OUTLIER 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.961 -2.516 . . . . 10.0 110.963 0.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 7' ' ' MET . 0.0 OUTLIER 60.48 145.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 10.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.678 ' ND2' HG23 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -136.22 175.66 9.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 10.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.686 HG22 ' CE1' ' A' ' 43' ' ' PHE . 3.1 mt -123.24 83.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 10.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.678 HG23 ' ND2' ' A' ' 40' ' ' ASN . 59.0 t -86.0 132.8 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 10.0 109.354 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.686 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -105.61 133.49 50.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 10.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.74 160.1 15.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 10.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.495 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -111.78 78.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 10.0 109.295 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.48 -68.26 0.81 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 10.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -99.31 12.09 61.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.473 1.108 . . . . 10.0 111.083 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.9 t -127.65 158.8 38.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.55 0.794 . . . . 10.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.99 174.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 10.0 109.298 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.07 -70.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 10.0 109.373 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.36 -49.72 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 10.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -50.24 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.386 1.054 . . . . 10.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -47.55 -58.0 4.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 53' ' ' ALA . . . -38.67 -52.3 1.66 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 10.0 109.237 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -52.94 62.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.6 1.187 . . . . 10.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.911 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -67.79 -9.61 45.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 10.0 109.255 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 p -84.06 121.82 27.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.495 1.122 . . . . 10.0 110.026 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.9 m-70 -82.88 102.2 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 10.0 109.585 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -92.15 27.97 2.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 10.0 109.332 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 150.42 16.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.135 . . . . 10.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.601 ' O ' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mp -109.54 123.27 49.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 0.792 . . . . 10.0 109.241 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -84.2 160.54 20.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.168 . . . . 10.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 61' ' ' LEU . 28.4 m-85 -144.32 -47.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 10.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.26 33.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.142 . . . . 10.0 109.259 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.01 51.4 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 10.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -145.22 -38.76 0.06 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.499 1.124 . . . . 10.0 110.949 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.59 141.58 48.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 10.0 110.417 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 33.3 p -136.38 149.03 48.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 10.0 110.068 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -101.34 172.28 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.37 1.044 . . . . 10.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.9 m -145.73 151.74 38.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 10.0 110.385 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.8 p -145.2 179.97 7.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 10.0 109.969 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.589 ' O ' HD11 ' A' ' 56' ' ' LEU . 4.4 m -144.7 140.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 10.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -112.94 98.1 6.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 10.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -83.42 -25.45 31.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -99.5 122.4 51.71 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 10.0 110.308 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 80.32 2.47 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.542 1.811 . . . . 10.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.27 -140.12 3.78 Favored Glycine 0 CA--C 1.528 0.864 0 O-C-N 124.541 1.15 . . . . 10.0 111.026 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.0 m -140.61 111.47 6.99 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.398 0.705 . . . . 10.0 110.381 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.911 ' CE2' HD13 ' A' ' 56' ' ' LEU . 25.9 m-85 -88.8 160.16 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 10.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -142.85 152.55 42.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 10.0 110.357 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.563 ' CD2' HG23 ' A' ' 41' ' ' ILE . 29.0 p90 -148.58 154.94 40.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 10.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -144.48 125.77 14.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 10.0 111.071 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.445 ' CB ' ' HD1' ' A' ' 86' ' ' HIS . 0.9 OUTLIER -66.48 115.32 6.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 10.0 108.31 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.3 mt-10 -75.88 -55.65 1.87 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.475 1.109 . . . . 10.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.08 58.27 4.89 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.486 1.782 . . . . 10.0 111.037 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.571 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -142.58 77.98 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 10.0 109.623 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 mtt180 -49.77 111.27 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 10.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 37.54 85.61 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 O-C-N 124.479 1.112 . . . . 10.0 111.001 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.07 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -125.39 -55.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.39 0.7 . . . . 10.0 109.301 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.66 52.55 1.03 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.535 1.147 . . . . 10.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.571 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 96.1 mtp -117.19 136.56 52.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 10.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.537 ' O ' ' CE2' ' A' ' 81' ' ' TYR . 92.2 t -151.21 -76.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.06 . . . . 10.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . 60.72 150.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.524 1.14 . . . . 10.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 161.76 38.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 10.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 78' ' ' THR . 10.7 t -118.52 158.96 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 10.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' HG22 ' A' ' 23' ' ' ILE . 87.0 t -139.66 132.45 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 10.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.856 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.0 t -110.24 116.08 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 10.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.0 t0 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 10.0 109.359 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -78.88 141.86 37.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.485 1.116 . . . . 10.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.56 160.36 15.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.468 1.105 . . . . 10.0 109.418 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 t -140.56 148.85 41.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 10.0 110.343 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.675 ' CG2' HG11 ' A' ' 21' ' ' VAL . 37.3 t -137.28 145.74 29.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.645 1.216 . . . . 10.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 145.83 26.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 10.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.54 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 23.6 mtt -75.04 86.62 2.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 10.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.77 160.12 21.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.458 1.098 . . . . 10.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -81.1 141.81 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 10.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -46.52 -47.15 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 10.0 109.353 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.2 t -48.37 -46.6 37.12 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 10.0 110.1 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 116.63 92.6 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 10.0 110.942 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.76 171.94 19.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.491 0.759 . . . . 10.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 ' CD2' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -91.97 53.52 2.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 10.0 109.268 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 m -145.25 127.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.088 . . . . 10.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 37.6 m-85 -81.25 114.24 19.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 10.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -123.49 141.08 35.41 Favored Pre-proline 0 N--CA 1.45 -0.456 0 O-C-N 124.442 1.088 . . . . 10.0 110.338 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.01 134.82 37.65 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 120.954 -2.519 . . . . 10.0 110.991 0.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.419 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 p -56.37 -48.31 77.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 10.0 109.934 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -104.84 136.69 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.426 1.079 . . . . 10.0 110.393 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG11 ' CG2' ' A' ' 5' ' ' VAL . 26.9 m -145.44 141.52 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.14 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 p -80.44 144.33 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 10.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.664 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -145.33 155.97 13.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.128 . . . . 10.0 109.437 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.661 ' N ' HD13 ' A' ' 23' ' ' ILE . 5.1 mttp -103.03 143.19 32.9 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.548 1.155 . . . . 10.0 109.332 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.46 102.84 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 10.0 109.342 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 121.12 -14.55 9.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 10.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -179.64 7.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 10.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 29.7 mt-10 -121.53 164.29 17.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 10.0 110.321 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.664 HG23 HG13 ' A' ' 23' ' ' ILE . 2.3 t -133.52 129.87 56.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 10.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.59 129.07 53.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 10.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.652 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.5 m-90 -113.95 99.49 7.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 10.0 108.029 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.2 t -86.12 148.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -85.81 145.65 27.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 10.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -118.99 -68.81 0.89 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 1.105 . . . . 10.0 109.235 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -157.65 -177.51 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 10.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.55 68.33 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 10.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 24.9 p -96.02 151.6 38.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 10.0 109.962 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.97 -169.01 6.95 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.068 -2.472 . . . . 10.0 110.977 0.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.54 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.91 118.29 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 10.0 109.585 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 40' ' ' ASN . 0.7 OUTLIER -116.58 137.96 51.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.36 1.038 . . . . 10.0 109.306 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.646 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -123.54 76.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 10.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 21.9 t -83.12 129.21 37.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 10.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.646 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -102.8 127.51 49.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 10.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.14 162.82 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.625 1.203 . . . . 10.0 109.229 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -118.59 73.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 10.0 109.325 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.0 -83.87 0.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 10.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.74 3.75 63.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.464 1.102 . . . . 10.0 110.969 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.489 HG12 ' H ' ' A' ' 49' ' ' ASP . 12.3 t -121.38 169.73 12.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 0.78 . . . . 10.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.489 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -74.53 167.76 21.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 10.0 109.24 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.16 -46.87 31.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 10.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -53.16 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 10.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.1 m -53.41 -39.35 64.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 10.0 110.385 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -78.75 -27.44 44.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.8 81.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 10.0 109.232 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -79.52 -28.96 41.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.962 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -92.42 -2.58 56.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 10.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.7 t -96.14 124.79 40.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 10.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 11.4 m-70 -101.45 100.84 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 10.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -42.98 -35.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 10.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 40' ' ' ASN . . . 111.01 124.67 4.62 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.489 1.118 . . . . 10.0 111.054 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 69' ' ' PHE . 0.5 OUTLIER -171.74 38.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.779 . . . . 10.0 109.237 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -112.68 127.67 56.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.458 1.099 . . . . 10.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.7 p90 -156.13 -47.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 10.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.22 109.06 17.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 10.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.1 101.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.363 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.85 -36.13 0.5 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.524 1.14 . . . . 10.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -81.89 123.91 29.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 0.729 . . . . 10.0 110.368 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.3 m -131.35 146.09 52.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.939 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.471 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 4.8 m-85 -103.62 172.25 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 10.0 110.995 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 26.9 m -145.19 156.13 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 10.0 110.42 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.439 ' CB ' HD23 ' A' ' 56' ' ' LEU . 15.2 p -145.12 176.94 9.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 110.002 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 m -146.04 113.56 6.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 10.0 110.406 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.3 m-85 -89.14 98.45 11.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 10.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -80.02 -54.15 6.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.87 128.75 75.7 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.574 1.171 . . . . 10.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.427 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 87.45 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.543 1.812 . . . . 10.0 110.974 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.5 -150.27 5.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.444 1.09 . . . . 10.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 44.1 m -134.35 105.77 6.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 0.78 . . . . 10.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.962 ' CE2' HD13 ' A' ' 56' ' ' LEU . 36.8 m-85 -83.25 154.12 24.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.15 . . . . 10.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 m -136.94 139.44 41.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 10.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 25.1 p90 -140.5 153.97 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 10.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 1.8 p90 -141.09 161.2 38.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 10.0 111.008 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.11 61.85 0.61 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.134 . . . . 10.0 108.319 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -50.64 -52.37 56.81 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 110.288 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.06 60.18 5.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 10.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.535 ' CD2' HD21 ' A' ' 14' ' ' LEU . 2.6 t-160 -152.41 -66.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 10.0 109.517 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.4 169.41 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 10.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.68 57.38 4.12 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 10.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.53 -64.17 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 10.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 139.57 57.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 10.0 111.026 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.608 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 6.0 mtt -88.54 79.54 7.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 0.718 . . . . 10.0 110.965 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 93' ' ' GLY . 75.1 t -75.25 -91.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 10.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.441 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.32 124.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.544 1.152 . . . . 10.0 111.102 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.06 151.82 42.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.753 . . . . 10.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -105.67 154.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.276 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.494 ' O ' HG22 ' A' ' 23' ' ' ILE . 60.5 t -134.09 125.6 48.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 109.199 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.446 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -96.47 156.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.405 1.066 . . . . 10.0 109.363 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.4 t0 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 10.0 109.244 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.03 140.77 43.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.492 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -144.35 138.37 27.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 10.0 109.294 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 3.5 t -123.28 169.31 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.625 1.203 . . . . 10.0 110.445 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 86.1 t -145.15 161.36 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.432 ' N ' HG12 ' A' ' 5' ' ' VAL . 6.3 mttt -120.06 143.41 48.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 10.0 109.246 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.693 ' CE ' HD11 ' A' ' 41' ' ' ILE . 33.1 mtt -81.19 95.78 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 10.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.51 -130.58 8.91 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.511 1.132 . . . . 10.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -144.93 167.24 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 0.81 . . . . 10.0 109.936 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -7.37 47.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 10.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.87 -59.34 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 10.0 110.003 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.25 82.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.454 1.096 . . . . 10.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -143.19 169.31 17.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 0.766 . . . . 10.0 109.402 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.5 mt -80.67 -51.34 8.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.2 m -44.53 146.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 10.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.613 ' CE1' ' HA ' ' A' ' 7' ' ' MET . 3.0 m-30 -99.62 147.04 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 10.0 111.053 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 2.8 tm-20 -143.87 136.67 13.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.15 . . . . 10.0 110.323 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.6 Cg_endo -74.99 153.04 98.95 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 120.933 -2.528 . . . . 10.0 111.004 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -72.84 -42.64 63.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.939 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 44.4 m -117.36 143.74 45.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 10.0 110.394 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -144.9 145.62 20.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 137.3 33.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.577 1.173 . . . . 10.0 110.357 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -142.95 160.23 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 10.0 109.364 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -110.06 160.84 16.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.406 1.066 . . . . 10.0 109.296 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.79 102.82 2.94 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.435 1.084 . . . . 10.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 -20.43 7.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.439 1.087 . . . . 10.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.81 -179.22 4.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 10.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.7 pm0 -134.97 171.3 14.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 10.0 110.394 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -134.46 150.04 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 4' ' ' THR . 3.7 ttpt -114.15 137.8 51.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.084 . . . . 10.0 109.363 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.618 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.6 m-90 -124.31 100.8 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.919 -1.141 . . . . 10.0 107.919 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.43 137.91 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 10.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' N ' ' HE3' ' A' ' 7' ' ' MET . 27.7 t-20 -80.65 125.13 29.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 10.0 109.235 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 9' ' ' SER . 42.2 t30 -88.84 -66.11 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.501 1.126 . . . . 10.0 109.298 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.75 -166.4 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 10.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 37' ' ' SER . 0.8 OUTLIER 63.96 33.07 12.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 10.0 109.208 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.546 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -40.98 162.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 110.027 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.1 -48.47 0.27 Allowed 'Cis proline' 0 C--N 1.361 1.199 0 C-N-CA 120.991 -2.504 . . . . 10.0 111.02 0.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.75 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 2.4 m-70 67.11 115.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.155 . . . . 10.0 109.659 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -118.65 172.76 7.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 10.0 109.212 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.797 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mt -123.55 63.1 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 10.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -79.42 139.19 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 10.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.797 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -114.32 128.59 56.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 10.0 110.999 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.69 154.42 23.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 10.0 109.27 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -110.81 78.72 1.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 10.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.84 -69.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.058 . . . . 10.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.64 -1.11 83.48 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.466 1.104 . . . . 10.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 49' ' ' ASP . 3.4 t -121.42 168.99 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.769 . . . . 10.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.467 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -69.1 155.01 41.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 10.0 109.348 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -65.51 -56.31 13.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 10.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.704 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -51.09 -59.43 4.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 10.0 109.306 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m -47.91 -58.42 4.41 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.466 1.104 . . . . 10.0 110.375 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.71 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -51.45 -32.44 26.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 10.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.704 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -63.56 -41.48 98.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 10.0 109.275 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.07 -54.39 30.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 10.0 109.26 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.804 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -67.05 -17.68 65.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 10.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.4 t -75.57 132.81 40.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 10.0 110.046 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 58.1 m-70 -106.46 100.95 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 10.0 109.548 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -78.76 -35.82 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -39.78 149.25 0.13 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.424 1.078 . . . . 10.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 3.2 mm? -97.14 126.79 42.56 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.433 0.725 . . . . 10.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -102.47 128.31 49.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.151 . . . . 10.0 109.351 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 61' ' ' LEU . 67.8 m-85 -127.31 -64.57 0.98 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.401 1.063 . . . . 10.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.55 142.94 38.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 10.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.33 69.39 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 10.0 109.401 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.04 -42.94 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.511 1.132 . . . . 10.0 111.023 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.08 99.78 4.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 10.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.2 p -107.67 150.25 27.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 10.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.512 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 12.3 m-85 -112.17 175.73 5.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 10.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 95.9 m -145.31 153.73 41.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 10.0 110.277 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -144.98 134.91 23.72 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 10.0 109.953 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.5 m -103.79 122.83 45.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 10.0 110.442 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.751 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.9 m-85 -88.22 97.96 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 10.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.08 -16.68 37.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.451 1.094 . . . . 10.0 110.392 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -110.18 124.57 33.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 10.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.462 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.12 84.36 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.554 1.818 . . . . 10.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.47 -150.17 5.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.542 1.151 . . . . 10.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 53.4 m -129.58 118.39 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.587 0.816 . . . . 10.0 110.306 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CE2' HD12 ' A' ' 56' ' ' LEU . 64.9 m-85 -100.48 144.4 29.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 10.0 111.102 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.7 m -131.32 140.95 49.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 10.0 110.436 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 17.3 p90 -132.63 155.28 49.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 10.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -156.4 161.55 40.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 1.17 . . . . 10.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.424 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.5 m -105.58 147.94 27.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 10.0 108.203 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.512 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 1.3 mt-10 -83.17 -57.9 0.42 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 10.0 110.325 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.784 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.89 -171.69 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 10.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.469 ' CB ' ' O ' ' A' ' 85' ' ' PRO . 3.0 m170 85.35 48.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 10.0 109.668 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.6 -80.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.53 1.144 . . . . 10.0 110.243 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -113.66 -38.3 1.2 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.435 1.084 . . . . 10.0 110.938 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.784 ' HB2' ' O ' ' A' ' 85' ' ' PRO . . . 67.25 63.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.779 . . . . 10.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.77 41.45 3.1 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.429 1.08 . . . . 10.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' ' 16' ' ' PHE . 12.8 mtm -72.27 85.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 10.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.6 m -76.53 123.8 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 10.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -177.59 131.75 1.85 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.471 1.107 . . . . 10.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -144.91 147.38 32.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 10.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.2 t -95.83 162.88 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.4 t -141.53 120.64 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.08 . . . . 10.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -97.33 121.81 48.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 109.27 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.0 t0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 10.0 109.318 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -77.15 144.74 38.19 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.379 1.049 . . . . 10.0 109.369 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.457 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -88.03 148.11 24.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 10.0 109.285 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 15.3 t -139.24 150.49 45.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 10.0 110.35 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 24.8 t -135.97 128.38 45.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 10.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -83.18 125.49 31.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.623 1.202 . . . . 10.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.606 ' SD ' HD11 ' A' ' 41' ' ' ILE . 33.0 mtm -73.5 85.18 1.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 10.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.54 171.7 18.49 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.533 1.146 . . . . 10.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.494 ' OG ' ' CG2' ' A' ' 15' ' ' VAL . 5.7 m -97.66 147.77 24.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.774 . . . . 10.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -47.04 -62.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.99 -54.82 3.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 10.0 109.95 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.2 71.03 0.1 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.559 1.162 . . . . 10.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -134.49 146.32 49.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 0.802 . . . . 10.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 90' ' ' GLY . 0.5 OUTLIER -75.93 75.32 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 10.0 109.323 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.494 ' CG2' ' OG ' ' A' ' 9' ' ' SER . 17.8 m -137.4 179.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.628 1.205 . . . . 10.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 16' ' ' PHE . 0.7 OUTLIER -145.18 114.19 6.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.392 1.057 . . . . 10.0 111.052 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.3 139.1 14.66 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 10.0 110.321 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.568 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.07 141.8 72.78 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.986 -2.506 . . . . 10.0 111.001 0.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.5 p -62.65 -40.36 96.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 10.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.7 m -120.59 140.34 51.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 10.0 110.366 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' PRO . 29.6 m -138.35 151.49 24.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 10.0 109.272 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.32 140.3 29.73 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 10.0 110.403 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG23 HG13 ' A' ' 97' ' ' VAL . 0.2 OUTLIER -145.11 159.15 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 109.298 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -104.13 156.71 17.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -71.45 100.9 2.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 10.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.13 -14.76 8.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.473 1.108 . . . . 10.0 110.972 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -75.2 179.1 5.28 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 0.754 . . . . 10.0 110.345 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.946 ' HG3' HG23 ' A' ' 72' ' ' THR . 1.5 mt-10 -128.55 165.71 20.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 10.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.654 ' O ' HG23 ' A' ' 70' ' ' THR . 2.9 t -128.42 162.74 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.615 1.197 . . . . 10.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -134.58 125.99 28.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 10.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.53 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -114.81 99.55 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 10.0 108.059 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -91.67 143.78 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 10.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -76.97 138.9 39.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 10.0 109.315 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -108.55 -69.31 0.86 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.568 1.167 . . . . 10.0 109.347 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.98 -175.7 1.54 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 10.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 mp 65.6 70.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.362 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -88.54 160.43 44.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 10.0 110.026 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.1 -174.6 14.44 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 120.96 -2.517 . . . . 10.0 110.964 0.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.03 128.54 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 10.0 109.615 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' ' N ' ' A' ' 40' ' ' ASN . 1.1 m-80 -137.16 142.0 42.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 10.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.814 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -117.01 72.49 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 10.0 109.33 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 74.3 t -82.65 134.82 26.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 109.238 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.814 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.4 m-85 -110.63 123.19 49.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 10.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.757 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -77.64 155.48 31.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 10.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -107.94 77.23 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.579 1.174 . . . . 10.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.72 -80.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 10.0 109.371 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.01 7.85 78.82 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.519 1.137 . . . . 10.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.83 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -126.1 160.95 32.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.422 0.719 . . . . 10.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.51 157.76 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 10.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.42 -42.14 59.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 10.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -62.58 -55.54 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.632 1.208 . . . . 10.0 109.314 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -56.39 -48.29 77.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 110.422 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.7 -28.17 69.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 10.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.45 -42.49 82.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.429 1.08 . . . . 10.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -30.85 65.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 10.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.727 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -90.33 -5.88 55.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.398 1.061 . . . . 10.0 109.242 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 11.5 t -93.3 117.44 30.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 10.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 21.5 m-70 -92.57 103.62 16.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.591 1.182 . . . . 10.0 109.52 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -97.98 36.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.302 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.18 169.75 13.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.445 1.091 . . . . 10.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mp -109.65 125.22 52.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 10.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.49 120.07 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 10.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 27.8 p90 -143.86 -45.08 0.27 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.634 1.209 . . . . 10.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.07 102.07 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 10.0 109.22 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.18 111.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 10.0 109.295 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.93 -32.36 1.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.567 1.167 . . . . 10.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -92.7 114.23 26.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 0.736 . . . . 10.0 110.374 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.92 159.81 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 10.0 109.988 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.528 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 8.6 m-85 -117.95 171.22 8.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 10.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 29' ' ' VAL . 95.5 m -145.29 154.77 42.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 10.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.665 ' OG ' HD23 ' A' ' 56' ' ' LEU . 2.5 p -141.11 179.62 6.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 10.0 110.045 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.946 HG23 ' HG3' ' A' ' 28' ' ' GLU . 2.1 m -144.76 120.68 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.775 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.5 m-85 -95.2 98.55 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.566 1.166 . . . . 10.0 111.015 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.7 m -88.32 -26.59 22.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 10.0 110.301 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.79 121.44 61.18 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.408 1.068 . . . . 10.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.443 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.95 79.71 2.58 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.488 1.783 . . . . 10.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.0 -138.83 3.67 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.451 1.095 . . . . 10.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 m -142.56 108.19 5.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 10.0 110.437 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.83 ' CE2' HG11 ' A' ' 48' ' ' VAL . 43.4 m-85 -87.27 157.14 19.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.58 1.175 . . . . 10.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.9 m -133.64 152.09 51.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 10.0 110.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CD2' HG23 ' A' ' 41' ' ' ILE . 26.9 p90 -159.09 169.28 24.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 10.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.757 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -168.17 -176.6 3.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 1.073 . . . . 10.0 110.946 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' CB ' ' ND1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -91.37 138.84 31.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 10.0 108.281 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -55.65 -51.43 80.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 10.0 110.259 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 -61.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 124.609 1.847 . . . . 10.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.458 ' ND1' ' CB ' ' A' ' 83' ' ' CYS . 15.2 m170 -39.91 -73.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.585 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.08 92.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 110.388 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 51.49 57.87 11.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 10.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -155.9 36.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 10.0 109.279 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.767 ' O ' HD23 ' A' ' 14' ' ' LEU . . . 99.65 49.11 1.56 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.512 1.132 . . . . 10.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.537 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 174.5 123.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 10.0 110.951 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.77 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -174.98 -92.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.77 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 70.2 153.87 1.04 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 10.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -140.08 165.66 26.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.594 0.82 . . . . 10.0 109.345 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 96' ' ' VAL . 39.1 t -114.14 164.83 9.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.546 1.153 . . . . 10.0 109.259 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.461 ' N ' HG12 ' A' ' 95' ' ' VAL . 92.4 t -144.04 119.43 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.629 1.206 . . . . 10.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.527 HG13 HG23 ' A' ' 23' ' ' ILE . 2.4 t -92.58 156.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 10.0 109.281 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.11 . . . . 10.0 109.354 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -74.88 136.53 41.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 10.0 109.308 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB1' HG11 ' A' ' 21' ' ' VAL . . . -142.71 154.2 44.07 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 10.0 109.364 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -142.17 154.99 45.27 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.436 1.085 . . . . 10.0 110.447 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.955 HG22 ' HD2' ' A' ' 18' ' ' PRO . 84.3 t -136.57 139.42 45.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 10.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.54 140.69 30.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 10.0 109.276 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.593 ' SD ' HD11 ' A' ' 41' ' ' ILE . 12.5 mtt -75.69 93.42 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 10.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.7 157.48 33.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.518 1.137 . . . . 10.0 111.055 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.8 m -79.83 148.38 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 10.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -41.68 -56.94 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 10.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.12 -43.96 64.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 10.0 110.08 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 117.75 62.98 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.44 1.088 . . . . 10.0 111.004 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.3 150.32 24.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 0.729 . . . . 10.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.8 mt -78.5 61.52 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 10.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' H ' ' A' ' 16' ' ' PHE . 2.1 p -152.45 -165.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 10.0 109.352 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.755 ' H ' HG22 ' A' ' 15' ' ' VAL . 17.1 m-85 -141.57 151.71 43.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 10.0 111.03 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.619 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 mp0 -144.55 135.04 12.06 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 110.249 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.955 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.2 Cg_endo -75.08 133.93 33.62 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.931 -2.529 . . . . 10.0 111.019 -0.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.423 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 8.0 t -38.02 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 10.0 110.022 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m -126.75 136.7 52.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 10.0 110.369 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -134.04 162.17 39.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.456 1.098 . . . . 10.0 109.266 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.58 140.33 32.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.445 1.091 . . . . 10.0 110.359 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.691 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -141.1 151.91 20.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 10.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 1' ' ' ALA . 0.6 OUTLIER -97.61 166.07 11.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 10.0 109.237 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.21 90.77 5.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 10.0 109.273 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 142.67 -28.16 2.18 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.526 1.141 . . . . 10.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -74.74 -179.56 4.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.562 0.801 . . . . 10.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.69 174.78 9.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 10.0 110.275 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.758 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 18.2 t -126.75 132.82 69.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.628 1.205 . . . . 10.0 109.374 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.44 133.86 43.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 10.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.758 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.2 m-90 -122.29 99.64 6.53 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.5 t -86.0 132.77 31.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 10.0 109.23 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -78.09 127.65 32.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.135 . . . . 10.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -106.33 -66.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 10.0 109.361 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -167.43 1.03 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 68.8 70.31 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 10.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.515 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -121.85 161.98 39.34 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 10.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.515 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 162.71 92.25 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.876 0.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -179.01 147.43 0.35 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.47 1.106 . . . . 10.0 109.554 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 58' ' ' HIS . 5.1 t-20 -131.58 -174.48 3.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 10.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.777 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.3 mt -127.02 81.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 10.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 48.7 t -79.51 147.98 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 109.412 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.777 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -123.06 130.4 52.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 10.0 110.997 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.08 161.21 28.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.323 1.014 . . . . 10.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.72 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -129.16 74.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 10.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -79.06 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.098 . . . . 10.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.25 0.78 88.52 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 10.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.826 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -117.48 160.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 10.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.52 161.51 11.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.472 1.107 . . . . 10.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -73.78 -57.74 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 10.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.696 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -49.25 -56.97 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.185 . . . . 10.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.2 m -47.77 -57.02 6.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.42 -25.15 67.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 10.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.78 -53.85 34.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 10.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -60.51 -42.19 95.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 10.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.941 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.9 mt -74.25 -18.79 60.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 10.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.1 t -83.63 113.35 20.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 10.0 110.024 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.452 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 12.9 m-70 -75.1 102.45 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 10.0 109.569 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.29 -21.25 19.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.572 1.17 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.14 90.63 1.0 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.58 1.175 . . . . 10.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -49.99 139.4 13.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 0.713 . . . . 10.0 109.373 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.63 162.6 14.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 10.0 109.372 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -143.67 -58.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 10.0 111.061 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.645 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -84.2 125.51 32.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 10.0 109.288 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.0 79.55 1.19 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.503 1.127 . . . . 10.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -174.36 -39.07 0.04 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 10.0 111.046 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.645 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 3.2 mp0 -78.42 104.61 9.12 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.531 0.783 . . . . 10.0 110.376 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -93.84 161.33 14.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 10.0 110.041 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.452 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 24.6 m-85 -115.25 171.82 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 10.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -145.35 150.24 36.23 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 10.0 110.362 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.695 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.2 p -145.22 128.9 17.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 10.0 109.97 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -100.19 136.65 39.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.626 1.204 . . . . 10.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.941 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 40.7 m-85 -115.25 99.57 7.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 10.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.2 m -85.44 -6.66 59.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.406 1.066 . . . . 10.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -123.37 142.94 39.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 10.0 110.309 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.519 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.4 Cg_endo -74.9 169.7 22.02 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.55 1.816 . . . . 10.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.8 174.76 13.9 Favored Glycine 0 CA--C 1.532 1.128 0 O-C-N 124.602 1.189 . . . . 10.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' VAL . 3.0 m -111.08 121.98 46.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 0.816 . . . . 10.0 110.438 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.826 ' CE2' HG11 ' A' ' 48' ' ' VAL . 92.5 m-85 -103.22 160.39 14.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 10.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 94' ' ' LYS . 26.3 m -144.16 145.56 32.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 10.0 110.483 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 18.8 p90 -130.18 137.68 50.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 10.0 111.043 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 14.5 p90 -129.64 99.31 5.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 10.0 111.067 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 t -43.15 108.49 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.6 1.187 . . . . 10.0 108.229 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.508 ' HG3' ' CE2' ' A' ' 82' ' ' TYR . 1.7 mt-10 -71.55 -55.62 5.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 10.0 110.254 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.93 62.26 5.76 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.544 1.813 . . . . 10.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.68 -60.16 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 10.0 109.586 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.43 111.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 10.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.36 -56.05 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.491 1.12 . . . . 10.0 111.004 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' MET . . . -154.36 75.54 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 10.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . -37.36 97.16 0.01 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.531 1.144 . . . . 10.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.506 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 24.3 mtt -38.23 125.55 1.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 10.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 93' ' ' GLY . 2.1 p -83.04 -149.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 10.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.793 ' N ' HG13 ' A' ' 92' ' ' VAL . . . 100.6 132.76 7.87 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.392 1.057 . . . . 10.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.508 ' HB3' HG23 ' A' ' 80' ' ' THR . 1.9 pttm -144.19 148.61 35.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 0.806 . . . . 10.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' THR . 1.6 t -105.62 151.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.6 t -124.42 126.4 71.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.581 1.176 . . . . 10.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.691 HG22 ' CG2' ' A' ' 23' ' ' ILE . 15.7 t -107.55 116.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.498 1.124 . . . . 10.0 109.405 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.9 t70 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 10.0 109.33 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -75.19 143.78 43.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 10.0 109.254 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -109.29 113.44 26.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 10.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 t -119.29 160.65 21.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.593 1.183 . . . . 10.0 110.384 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.735 HG11 ' CD1' ' A' ' 16' ' ' PHE . 54.3 t -142.22 138.81 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 8' ' ' GLY . 2.1 pttt -84.79 107.45 16.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 10.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.8 mtt -40.48 110.58 0.16 Allowed 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 124.44 1.088 . . . . 10.0 111.087 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' LYS . . . 80.24 167.66 36.46 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 10.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -83.67 150.1 26.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 10.0 109.977 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -50.6 -56.19 12.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.88 -55.29 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 10.0 109.945 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.31 86.41 0.28 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 10.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.44 -171.52 3.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 10.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD22 ' CE1' ' A' ' 86' ' ' HIS . 2.4 mt -91.85 -66.31 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 10.0 109.28 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.5 m -42.35 123.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 10.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.735 ' CD1' HG11 ' A' ' 5' ' ' VAL . 5.1 p90 -86.81 137.15 32.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.174 . . . . 10.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.0 mt-10 -121.26 141.08 32.35 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.519 1.137 . . . . 10.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.6 Cg_endo -74.91 131.92 25.78 Favored 'Cis proline' 0 C--N 1.359 1.093 0 C-N-CA 120.977 -2.51 . . . . 10.0 111.078 -0.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.594 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 87.6 p -52.36 -46.47 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 10.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.3 m -115.88 130.06 56.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 10.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.694 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.9 t -128.33 169.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.37 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.422 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -115.36 140.15 49.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 10.0 110.411 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.706 HD12 HG23 ' A' ' 29' ' ' VAL . 7.9 tt -144.75 160.62 14.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.466 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -93.13 176.76 6.29 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.451 1.094 . . . . 10.0 109.321 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.07 96.75 10.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.57 1.169 . . . . 10.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.94 -10.87 5.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 10.0 111.06 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -78.97 -179.41 6.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 10.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -127.83 163.48 24.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 10.0 110.26 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.706 HG23 HD12 ' A' ' 23' ' ' ILE . 12.2 t -124.0 157.54 30.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 10.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -131.46 130.06 41.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 10.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.698 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.6 m-90 -120.71 99.34 6.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 10.0 107.998 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.7 p -92.89 144.11 10.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 10.0 109.275 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -86.11 127.31 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 10.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -100.7 -67.53 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 10.0 109.283 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.88 -170.06 2.42 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.506 1.129 . . . . 10.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 61.86 62.61 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.406 1.066 . . . . 10.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 9.8 p -86.12 152.65 56.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 109.993 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.1 -172.12 10.35 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 121.027 -2.489 . . . . 10.0 110.938 0.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.774 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -157.89 93.73 1.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 10.0 109.604 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -93.88 162.93 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 10.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 81' ' ' TYR . 3.6 mt -146.45 66.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 10.0 109.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.553 ' HB ' ' CE1' ' A' ' 82' ' ' TYR . 7.3 t -79.91 130.39 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 10.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.7 m-85 -101.71 138.58 38.5 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.374 1.046 . . . . 10.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.18 157.35 16.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 10.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.14 78.18 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 10.0 109.383 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -107.79 103.64 12.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 10.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.88 -40.62 3.06 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.533 1.146 . . . . 10.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 49' ' ' ASP . 21.3 t -82.42 165.2 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.429 0.723 . . . . 10.0 109.251 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.445 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -62.67 167.25 4.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 10.0 109.379 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.54 -51.98 6.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.411 1.07 . . . . 10.0 109.232 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.82 -38.74 56.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 10.0 109.352 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.3 m -67.17 -59.23 3.62 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.111 . . . . 10.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -51.74 -30.57 23.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.158 . . . . 10.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.97 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 10.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -75.75 -25.03 56.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 10.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.848 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -96.0 0.23 51.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 10.0 109.37 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 t -94.84 130.83 41.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 10.0 110.057 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 3.6 m170 -108.76 99.77 9.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 10.0 109.584 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' HIS . 0.9 OUTLIER -40.11 -30.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.45 1.094 . . . . 10.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.437 ' N ' ' C ' ' A' ' 58' ' ' HIS . . . 108.35 -140.8 15.65 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 10.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 75.2 41.31 0.3 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 0.775 . . . . 10.0 109.251 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.774 ' HB3' ' O ' ' A' ' 39' ' ' HIS . . . -108.51 107.98 18.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 10.0 109.255 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -139.59 -44.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 10.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.35 116.72 19.76 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 10.0 109.321 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.67 163.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 10.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.41 -40.71 3.04 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.545 1.153 . . . . 10.0 110.969 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -84.51 103.14 13.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 0.751 . . . . 10.0 110.274 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.6 p -115.7 172.04 7.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 10.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -120.9 169.72 10.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 10.0 110.994 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 29' ' ' VAL . 85.5 m -145.74 149.44 34.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 10.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.504 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.2 p -145.78 141.34 27.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 10.0 110.039 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 85.2 m -99.98 130.48 46.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 10.0 110.467 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.932 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.4 m-30 -100.2 99.03 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 10.0 111.078 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -51.91 5.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.091 . . . . 10.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -75.28 120.82 83.45 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 110.257 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.55 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.04 72.98 4.49 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.537 1.809 . . . . 10.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.04 -143.52 5.42 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.473 1.108 . . . . 10.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.5 m -136.3 108.46 7.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 0.753 . . . . 10.0 110.36 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.848 ' CE2' HD13 ' A' ' 56' ' ' LEU . 67.7 m-85 -90.35 148.96 22.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 10.0 110.959 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -138.03 148.25 44.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 1.064 . . . . 10.0 110.41 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.53 ' HE2' HG23 ' A' ' 95' ' ' VAL . 20.0 p90 -151.92 169.48 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 10.0 111.053 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 42' ' ' VAL . 4.1 p90 -136.27 167.04 22.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 10.0 111.004 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 53.4 t -108.3 45.77 1.0 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 10.0 108.305 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' CB ' ' CD ' ' A' ' 85' ' ' PRO . 0.7 OUTLIER 52.58 173.59 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.313 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.99 58.95 5.06 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.589 1.836 . . . . 10.0 111.021 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 0.6 OUTLIER -87.07 138.54 31.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 10.0 109.57 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.51 -58.96 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 10.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 116.44 56.63 0.32 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.456 1.098 . . . . 10.0 111.095 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.16 -46.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 0.793 . . . . 10.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.41 58.71 1.92 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 10.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.437 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 22.8 ptm -43.16 150.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 10.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.56 -165.22 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 10.0 109.362 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 112.53 126.45 4.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 10.0 111.06 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -145.31 179.39 7.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 10.0 109.314 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 81' ' ' TYR . 5.6 t -119.36 159.23 20.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 10.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -134.57 116.42 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 10.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.932 HG22 ' CD2' ' A' ' 73' ' ' PHE . 3.8 t -78.32 149.71 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 10.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ILE . 7.8 t70 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 10.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.306 -0.627 . . . . 10.0 109.306 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.32 155.33 20.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.096 . . . . 10.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -81.22 155.22 26.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 t -146.64 164.89 31.23 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 10.0 110.382 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 21' ' ' VAL . 38.3 t -145.45 153.45 13.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -109.48 126.13 53.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 10.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.487 ' HA ' ' CE2' ' A' ' 16' ' ' PHE . 9.2 mtt -67.99 96.38 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 10.0 111.047 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.97 171.91 32.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 10.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.45 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 1.0 OUTLIER -77.35 173.05 12.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 10.0 110.044 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.63 -5.38 59.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.571 1.169 . . . . 10.0 109.253 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 t -102.19 -55.58 2.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.949 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.97 72.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.145 . . . . 10.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -131.47 -179.31 5.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 10.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tp -93.86 -61.32 1.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.592 1.183 . . . . 10.0 109.302 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -43.15 138.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.499 1.124 . . . . 10.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 7' ' ' MET . 4.8 m-30 -86.51 149.15 25.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 10.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.8 tm-20 -139.44 129.84 14.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 10.0 110.253 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.533 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.05 132.8 28.78 Favored 'Cis proline' 0 C--N 1.361 1.227 0 C-N-CA 121.04 -2.484 . . . . 10.0 110.975 0.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.411 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 82.4 p -51.01 -53.42 33.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 10.0 109.935 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.3 m -105.96 141.49 37.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 10.0 110.429 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.601 HG11 HG22 ' A' ' 5' ' ' VAL . 33.1 m -145.21 141.21 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.69 140.64 29.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 10.0 110.332 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.807 ' CG2' HG22 ' A' ' 97' ' ' VAL . 2.2 tt -135.84 153.18 32.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 10.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.448 ' N ' HG12 ' A' ' 23' ' ' ILE . 4.7 mmtt -90.69 165.16 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.551 1.157 . . . . 10.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.13 120.27 18.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.498 1.124 . . . . 10.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 106.13 -20.73 35.01 Favored Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.546 1.154 . . . . 10.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' C ' HD11 ' A' ' 23' ' ' ILE . 3.0 mt-10 -75.39 179.11 5.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.804 . . . . 10.0 110.34 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' OE1' HG21 ' A' ' 70' ' ' THR . 0.5 OUTLIER -133.74 178.41 6.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 10.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.741 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.5 t -128.49 133.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 10.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -105.22 121.41 43.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 10.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.741 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 19.0 m-90 -106.73 99.69 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 10.0 107.964 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.7 t -88.4 130.75 37.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 10.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -78.86 99.96 6.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 10.0 109.327 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -77.25 -63.17 1.43 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.586 1.179 . . . . 10.0 109.297 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.2 -168.04 2.23 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 10.0 109.333 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.9 mm? 61.47 66.63 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 10.0 109.22 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 11.6 p -99.0 152.33 37.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 10.0 109.933 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 -166.94 5.23 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.066 -2.472 . . . . 10.0 111.039 -0.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -158.82 132.21 7.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.517 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -127.67 121.75 31.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.726 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.4 mt -100.1 77.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.378 1.049 . . . . 10.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 43.4 t -83.89 146.98 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 10.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.726 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.4 m-85 -122.11 133.74 54.76 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 10.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.3 154.17 22.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 10.0 109.294 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.12 76.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 10.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.91 -80.76 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.4 26.15 9.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 10.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.745 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.1 t -142.82 163.06 17.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.516 0.774 . . . . 10.0 109.354 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -65.14 175.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 10.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -92.06 -44.77 8.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 10.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -43.94 88.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 10.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -67.86 -52.96 30.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 10.0 110.433 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.57 -29.71 66.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 10.0 109.165 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.92 -54.81 40.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 10.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -57.28 -50.69 72.12 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.458 1.099 . . . . 10.0 109.379 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.179 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 4.9 mt -68.4 -14.27 62.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 10.0 109.352 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 7.2 t -87.94 103.85 16.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.415 1.072 . . . . 10.0 110.026 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 26.2 m-70 -75.39 103.1 5.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.607 1.192 . . . . 10.0 109.549 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -93.48 35.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 10.0 109.342 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.13 -167.36 14.86 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.516 1.135 . . . . 10.0 110.977 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.45 120.72 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 10.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -85.78 126.46 34.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 10.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -111.96 -66.84 1.04 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . . . -75.13 135.74 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 10.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.08 90.74 2.03 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 10.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.68 -33.02 0.14 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.58 1.175 . . . . 10.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' OE2' ' HB3' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -83.47 100.86 11.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 0.739 . . . . 10.0 110.264 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.4 p -105.63 155.32 19.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.435 1.084 . . . . 10.0 109.976 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 17.2 m-85 -108.72 173.06 6.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 10.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.507 HG21 ' OE1' ' A' ' 28' ' ' GLU . 8.0 m -144.76 149.13 34.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 10.0 110.414 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.733 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.1 p -145.0 127.01 15.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 10.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.3 m -102.73 141.96 34.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 10.0 110.312 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.179 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 54.1 m-85 -120.07 99.38 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 10.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -0.78 23.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 10.0 110.384 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.3 OUTLIER -135.9 133.08 19.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 10.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -75.03 151.03 38.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 10.0 111.007 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.25 -149.19 15.36 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.546 1.154 . . . . 10.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.3 m -145.16 102.28 3.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 0.775 . . . . 10.0 110.403 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.745 ' CE2' HG11 ' A' ' 48' ' ' VAL . 87.7 m-85 -94.01 162.18 13.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 10.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.9 m -138.75 144.14 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 10.0 110.468 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 p90 -138.45 152.34 48.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 10.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 8.1 p90 -144.78 165.11 29.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.492 1.12 . . . . 10.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.679 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 1.2 m -104.3 -177.55 3.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 10.0 108.368 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.58 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 3.0 mt-10 -171.5 -61.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 10.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.58 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.5 Cg_endo -74.99 51.7 2.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.473 1.775 . . . . 10.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.679 ' CE1' ' CB ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -156.37 46.44 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 10.0 109.543 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 41.49 52.98 3.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.393 1.058 . . . . 10.0 110.191 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 168.63 -171.62 42.8 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.405 1.066 . . . . 10.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.54 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 10.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -37.55 128.06 1.37 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.536 1.148 . . . . 10.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.429 ' C ' ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -176.95 57.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 0.79 . . . . 10.0 110.993 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 93' ' ' GLY . 91.3 t -42.78 -28.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 10.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 91' ' ' MET . . . -35.82 123.93 0.72 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 10.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -142.47 179.07 7.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 10.0 109.319 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.61 159.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 10.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.3 t -144.03 100.35 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 10.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.807 HG22 ' CG2' ' A' ' 23' ' ' ILE . 4.9 t -85.99 131.42 34.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 10.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 10.0 109.357 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.376 -0.601 . . . . 10.0 109.376 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -77.37 142.46 39.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 10.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -142.05 146.71 35.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.578 1.174 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 t -139.34 143.8 37.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 10.0 110.415 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.727 HG22 ' HD2' ' A' ' 18' ' ' PRO . 21.9 t -125.48 162.75 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.162 . . . . 10.0 109.255 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -110.85 116.5 31.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 10.0 109.336 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.774 ' HG2' HD11 ' A' ' 41' ' ' ILE . 33.6 mtt -36.57 -63.57 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.087 . . . . 10.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -106.37 158.91 15.23 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 10.0 111.032 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.617 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.2 OUTLIER -78.91 165.35 23.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 0.729 . . . . 10.0 109.965 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -39.6 -50.67 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 10.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -100.83 45.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 10.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 38.77 61.98 1.25 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 10.0 111.06 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -96.37 169.11 10.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 10.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 ' O ' HG22 ' A' ' 15' ' ' VAL . 3.6 mm? -75.38 -172.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 10.0 109.309 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 14' ' ' LEU . 6.5 m 50.16 -179.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 10.0 109.389 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -130.4 152.36 49.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 110.994 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -137.97 137.17 20.69 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.552 1.157 . . . . 10.0 110.267 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.833 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.0 138.54 56.66 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.041 -2.483 . . . . 10.0 110.968 0.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -35.06 -52.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 10.0 110.065 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.6 m -125.44 149.02 48.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 10.0 110.413 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.833 HG12 ' HG2' ' A' ' 18' ' ' PRO . 19.6 m -134.46 164.67 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.6 1.187 . . . . 10.0 109.349 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.5 139.31 36.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 10.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.941 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -143.88 151.97 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 10.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.885 ' H ' HD13 ' A' ' 23' ' ' ILE . 6.7 mmtt -109.23 163.93 12.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 10.0 109.374 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.51 87.48 3.85 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.521 1.138 . . . . 10.0 109.367 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 146.15 -29.63 1.65 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.488 1.118 . . . . 10.0 111.009 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -78.85 -179.54 6.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 0.793 . . . . 10.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -135.41 176.48 8.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 10.0 110.331 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.587 ' HB ' ' CH2' ' A' ' 31' ' ' TRP . 79.5 t -126.62 147.88 31.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -112.52 133.79 54.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 10.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CH2' ' HB ' ' A' ' 29' ' ' VAL . 21.6 m-90 -122.27 101.42 7.51 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.2 139.29 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 10.0 109.396 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.36 108.76 15.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 10.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -79.01 -76.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.607 1.192 . . . . 10.0 109.34 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -161.8 179.34 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 10.0 109.388 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.99 63.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 28.4 p -86.76 151.5 52.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 10.0 110.055 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.01 -170.55 8.37 Favored 'Cis proline' 0 C--N 1.361 1.204 0 C-N-CA 120.997 -2.501 . . . . 10.0 110.969 -0.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.63 153.53 28.71 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 10.0 109.549 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.427 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 1.9 m120 -153.18 155.83 37.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.591 1.182 . . . . 10.0 109.211 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.774 HD11 ' HG2' ' A' ' 7' ' ' MET . 20.3 mt -135.9 61.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 10.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.73 130.0 36.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 10.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.612 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.1 m-85 -97.02 144.99 26.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 1.186 . . . . 10.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.45 131.95 44.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 10.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 53' ' ' ALA . . . -107.55 85.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.41 -69.57 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 10.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.11 4.07 82.78 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.461 1.101 . . . . 10.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.757 HG11 ' CE2' ' A' ' 79' ' ' TYR . 18.0 t -119.5 168.45 11.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.461 0.741 . . . . 10.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -69.72 142.35 53.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 10.0 109.226 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -69.08 -41.51 77.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.626 1.204 . . . . 10.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.579 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -58.86 -68.26 0.28 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.51 1.131 . . . . 10.0 109.282 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.408 ' O ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -48.26 -39.54 21.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 10.0 110.325 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.6 ' CB ' ' HB2' ' A' ' 45' ' ' ALA . . . -71.78 -28.91 63.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 10.0 109.243 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -56.37 -57.55 11.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 10.0 109.373 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -28.91 69.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 10.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.086 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 10.6 mt -84.84 -7.07 59.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 10.2 p -90.68 122.36 33.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 10.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 14.7 m-70 -100.08 101.44 12.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 109.631 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.79 -26.47 0.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 10.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 40' ' ' ASN . . . 98.03 -135.62 12.28 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 10.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 79.44 41.08 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 0.807 . . . . 10.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -101.74 117.97 35.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 10.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 54.8 m-85 -121.49 -56.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.387 1.054 . . . . 10.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.06 140.01 43.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 10.0 109.176 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.56 73.52 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 10.0 109.329 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -167.36 -41.03 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.444 1.09 . . . . 10.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.32 104.25 6.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 10.0 110.353 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 88.3 p -105.98 159.02 16.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 10.0 109.88 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 16.1 m-85 -115.85 172.29 7.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 10.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 45.3 m -145.07 150.71 37.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 10.0 110.411 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.723 ' HB2' HD23 ' A' ' 56' ' ' LEU . 5.6 p -145.29 133.68 21.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.434 ' O ' HD21 ' A' ' 56' ' ' LEU . 1.5 m -107.64 142.38 37.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 10.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.086 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 52.2 m-85 -120.58 100.27 7.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 10.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.96 -29.47 39.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 10.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 13.1 mm-40 -102.86 143.58 26.89 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 10.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.3 Cg_endo -75.0 164.9 32.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.468 1.773 . . . . 10.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 133.46 179.7 16.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.572 1.17 . . . . 10.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 95' ' ' VAL . 32.0 m -112.79 137.18 51.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 10.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.757 ' CE2' HG11 ' A' ' 48' ' ' VAL . 89.2 m-85 -119.84 163.69 17.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 10.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.4 m -142.58 141.61 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.325 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.636 ' CD2' HG23 ' A' ' 41' ' ' ILE . 34.6 p90 -142.84 161.52 37.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 10.0 111.036 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -174.95 175.71 2.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.472 1.108 . . . . 10.0 110.901 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.464 ' HB2' ' HE1' ' A' ' 91' ' ' MET . 94.1 m -93.82 100.45 12.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 10.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 1.1 mt-10 -51.99 -56.2 23.79 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.554 1.158 . . . . 10.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.5 1.79 . . . . 10.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 85' ' ' PRO . 4.7 t60 48.38 -175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 10.0 109.526 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.41 39.46 1.42 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.531 1.144 . . . . 10.0 110.315 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -137.06 -104.66 0.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.546 1.154 . . . . 10.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.0 -80.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 0.792 . . . . 10.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.58 131.73 2.47 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.492 1.12 . . . . 10.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.464 ' HE1' ' HB2' ' A' ' 83' ' ' CYS . 1.8 mtm -93.26 171.92 8.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 10.0 111.041 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -140.86 143.37 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 169.6 133.25 1.56 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 10.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.9 pttt -144.61 153.78 42.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 0.738 . . . . 10.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 78' ' ' THR . 3.2 t -112.07 156.21 13.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 10.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 23' ' ' ILE . 66.9 t -129.55 117.56 42.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 10.0 109.24 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.941 HG22 ' CG2' ' A' ' 23' ' ' ILE . 21.2 t -100.79 101.91 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 10.0 109.315 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.586 1.179 . . . . 10.0 109.294 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' O ' ' CD ' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.337 -0.616 . . . . 10.0 109.337 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -143.95 163.45 33.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 10.0 109.371 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -111.67 129.47 56.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.51 1.131 . . . . 10.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 t -119.47 150.2 40.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 10.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.613 HG22 ' HD2' ' A' ' 18' ' ' PRO . 3.6 t -137.68 112.24 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.78 114.83 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 10.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.468 ' HB3' ' CE1' ' A' ' 39' ' ' HIS . 30.6 mtt -57.47 90.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 10.0 111.068 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' HB1' ' A' ' 13' ' ' ALA . . . 86.39 176.91 49.69 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.473 1.108 . . . . 10.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -91.8 159.44 15.81 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.396 0.704 . . . . 10.0 109.961 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 t70 -39.31 -42.12 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 10.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.07 -162.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 10.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.774 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -37.87 -36.2 0.3 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.537 1.148 . . . . 10.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 9' ' ' SER . . . 68.1 118.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.757 . . . . 10.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.3 tp -145.1 -61.2 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 10.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 16' ' ' PHE . 3.1 m -70.02 -157.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 10.0 109.366 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.587 ' CD1' ' HA ' ' A' ' 91' ' ' MET . 6.1 p90 -145.14 129.52 17.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.172 . . . . 10.0 110.979 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 13.0 tt0 -144.43 135.12 12.19 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 10.0 110.308 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.613 ' HD2' HG22 ' A' ' 5' ' ' VAL . 18.3 Cg_endo -74.99 148.37 91.59 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.976 -2.51 . . . . 10.0 111.029 0.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.532 ' HA ' ' CD2' ' A' ' 16' ' ' PHE . 12.2 p -43.8 -42.83 5.82 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 10.0 109.945 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.7 m -138.6 162.81 33.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 10.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.691 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -142.01 137.6 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 10.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.46 129.25 36.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 10.0 110.429 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.676 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -126.21 162.05 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 10.0 109.272 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' H ' HD13 ' A' ' 23' ' ' ILE . 14.9 mttt -108.52 150.89 26.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 10.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.18 96.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 10.0 109.38 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 129.11 -23.11 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 10.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 23' ' ' ILE . 51.5 mm-40 -74.67 -179.68 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.392 0.701 . . . . 10.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -134.12 168.46 18.78 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.581 1.176 . . . . 10.0 110.25 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.676 HG23 HG13 ' A' ' 23' ' ' ILE . 2.4 t -127.19 145.66 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 10.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.3 117.84 33.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 10.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.445 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 13.7 m-90 -101.65 100.09 10.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 10.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.3 t -89.01 145.68 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 10.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -86.97 101.0 13.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 10.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -66.76 -67.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 10.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -171.57 177.27 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 10.0 109.284 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.774 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 79.37 49.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 10.0 109.379 -179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 19.1 p -64.87 151.91 91.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 10.0 109.997 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 17.9 Cg_endo -75.06 -167.34 5.58 Favored 'Cis proline' 0 C--N 1.36 1.152 0 C-N-CA 120.928 -2.53 . . . . 10.0 110.96 0.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.27 112.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 10.0 109.536 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.453 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 44.0 t30 -122.59 150.61 42.39 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.454 1.096 . . . . 10.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.453 HG23 ' CD1' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -125.84 78.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 13.3 t -83.6 132.86 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 10.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HZ ' ' CZ2' ' A' ' 31' ' ' TRP . 4.4 m-85 -110.03 142.81 40.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 10.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.29 147.52 27.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 10.0 109.379 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 73.27 10.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.63 1.207 . . . . 10.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -100.15 100.31 11.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 10.0 109.225 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.38 -37.93 3.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 10.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.7 t -85.33 166.02 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 10.0 109.264 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -61.61 157.41 17.51 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 10.0 109.296 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.6 -60.31 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.62 1.2 . . . . 10.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.806 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.71 -44.7 48.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 10.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -56.23 -52.57 63.96 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 10.0 110.43 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.44 -13.66 61.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 10.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.806 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -67.05 -60.68 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 10.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HG2' HD23 ' A' ' 56' ' ' LEU . 3.9 ptpt -60.23 -38.08 82.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 10.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -66.27 -27.77 68.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -74.77 130.2 39.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 10.0 109.979 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 85.7 m-70 -105.41 101.0 10.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.345 1.028 . . . . 10.0 109.544 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.57 2.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 10.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.23 -31.45 5.89 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.45 1.094 . . . . 10.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.96 124.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 0.723 . . . . 10.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 39' ' ' HIS . . . -116.85 160.76 20.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 10.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -158.78 -44.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 10.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -77.73 107.59 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 10.0 109.216 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.36 94.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 10.0 109.343 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 164.74 -45.41 0.3 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.447 1.092 . . . . 10.0 111.012 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.15 113.32 12.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 0.748 . . . . 10.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.68 134.15 48.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 10.0 110.032 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 2.1 m-85 -89.22 177.55 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 10.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.6 m -145.22 145.26 31.23 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 10.0 110.333 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.478 ' HB2' HD22 ' A' ' 56' ' ' LEU . 1.4 p -139.19 134.2 32.44 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.495 1.122 . . . . 10.0 109.967 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.535 ' O ' HD21 ' A' ' 56' ' ' LEU . 47.4 m -102.55 128.86 49.03 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.543 1.152 . . . . 10.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.706 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.4 m-85 -95.33 97.95 10.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 10.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.44 -38.88 23.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 10.0 110.399 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.01 124.52 61.61 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 10.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.454 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.95 85.35 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 10.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.3 -148.09 5.1 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.626 1.204 . . . . 10.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 14.2 t -134.04 99.49 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 0.792 . . . . 10.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.706 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 69.6 m-85 -80.54 146.64 31.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 10.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -126.32 147.6 49.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.558 1.161 . . . . 10.0 110.42 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CE1' ' O ' ' A' ' 92' ' ' VAL . 3.7 p90 -151.16 154.77 37.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.173 . . . . 10.0 110.953 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.452 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 40.5 p90 -146.16 119.49 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 10.0 110.98 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.1 OUTLIER -45.34 124.69 4.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 10.0 108.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.8 OUTLIER -56.87 -51.43 81.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.352 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 -162.57 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 10.0 111.031 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 87' ' ' ARG . 28.6 m80 71.33 -73.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 109.62 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 86' ' ' HIS . 12.5 ttt180 39.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.603 1.189 . . . . 10.0 110.209 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 109.96 39.08 1.6 Allowed Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.541 1.151 . . . . 10.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.71 -51.25 1.71 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.618 0.834 . . . . 10.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 115.57 47.17 0.54 Allowed Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.59 1.181 . . . . 10.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.587 ' HA ' ' CD1' ' A' ' 16' ' ' PHE . 1.3 ttt -128.83 116.68 19.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 0.807 . . . . 10.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 81' ' ' TYR . 13.4 m -132.17 -56.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 10.0 109.342 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.535 ' H ' HG23 ' A' ' 92' ' ' VAL . . . 60.54 142.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.41 1.069 . . . . 10.0 111.082 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -138.49 172.13 13.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 10.0 109.245 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.2 t -128.69 160.73 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 10.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -145.17 123.45 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 10.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.587 HG13 HG23 ' A' ' 23' ' ' ILE . 2.2 t -97.2 146.2 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.417 1.073 . . . . 10.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.332 -0.618 . . . . 10.0 109.332 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -145.26 178.36 8.14 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.485 1.116 . . . . 10.0 109.353 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.821 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -113.4 107.49 15.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 10.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t -112.52 158.24 20.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 110.451 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 38.8 t -142.47 132.32 23.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 10.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.6 ptpt -72.85 113.16 9.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 10.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.696 ' CE ' HD11 ' A' ' 41' ' ' ILE . 1.5 ttm -73.95 71.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 10.0 111.047 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.3 -174.29 15.59 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.533 1.146 . . . . 10.0 111.054 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -85.58 169.18 13.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 0.721 . . . . 10.0 109.967 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.5 t70 -34.05 -47.95 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 10.0 109.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.23 89.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 10.0 110.07 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.606 ' O ' HD11 ' A' ' 36' ' ' LEU . . . 155.03 -68.04 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.142 . . . . 10.0 111.028 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.2 166.71 22.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.757 . . . . 10.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.673 ' HB2' HD13 ' A' ' 36' ' ' LEU . 1.2 tt -119.57 88.52 2.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 10.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.88 154.27 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 10.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 91' ' ' MET . 3.2 p90 -126.05 100.87 6.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 10.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 9.6 mt-10 -138.4 142.63 35.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 10.0 110.338 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.6 Cg_endo -75.02 133.54 31.88 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.006 -2.498 . . . . 10.0 111.037 0.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.443 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 5.1 t -43.63 -52.29 6.45 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.479 1.112 . . . . 10.0 109.96 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.5 m -115.27 141.36 48.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.349 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.772 HG12 ' HG2' ' A' ' 18' ' ' PRO . 33.2 m -133.25 168.06 25.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.202 . . . . 10.0 109.26 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.92 128.97 54.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 10.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.784 HD12 HG23 ' A' ' 29' ' ' VAL . 2.9 tt -126.43 154.9 36.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 10.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 23' ' ' ILE . 9.4 mmtt -86.49 164.85 16.7 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 10.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.47 73.64 7.38 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.469 1.106 . . . . 10.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.47 -28.12 0.38 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 10.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' C ' HD11 ' A' ' 23' ' ' ILE . 31.4 mt-10 -74.96 -179.98 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 10.0 110.36 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' CD ' HG23 ' A' ' 72' ' ' THR . 1.0 OUTLIER -130.69 178.52 6.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 10.0 110.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 3' ' ' ALA . 17.4 t -125.79 141.86 44.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 10.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -113.08 117.03 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 10.0 109.249 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 11.0 m-90 -104.27 99.36 9.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 10.0 107.961 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB3' ' A' ' 68' ' ' SER . 70.2 t -88.89 133.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.356 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' OD1' ' C ' ' A' ' 33' ' ' ASN . 20.7 t-20 -75.46 100.9 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 10.0 109.347 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -62.28 -62.7 1.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 10.0 109.293 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.86 -172.96 0.66 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 14' ' ' LEU . 16.2 mt 66.21 69.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 10.0 109.227 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -87.84 155.36 53.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 10.0 110.1 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.03 -168.72 6.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.951 -2.521 . . . . 10.0 111.018 0.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.47 ' HE1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -158.95 130.12 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.6 1.188 . . . . 10.0 109.594 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.471 ' CB ' ' HA3' ' A' ' 60' ' ' GLY . 1.9 m120 -125.76 163.8 22.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 10.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.866 HG23 ' CD1' ' A' ' 81' ' ' TYR . 5.8 mt -148.53 69.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.49 1.119 . . . . 10.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 t -80.09 134.7 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 10.0 109.269 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.4 m-85 -106.55 142.73 35.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 10.0 110.964 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.88 156.75 17.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 10.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.23 79.27 3.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 10.0 109.358 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -99.97 76.68 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 10.0 109.243 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.74 -21.43 36.5 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.489 1.118 . . . . 10.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.648 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -98.02 157.37 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 109.277 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.28 151.58 22.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 10.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.39 -53.16 20.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 10.0 109.221 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -46.26 -58.45 3.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 10.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.2 m -52.11 -42.06 62.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 10.0 110.405 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -65.7 -30.61 71.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 10.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -70.21 -23.59 62.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.62 -22.63 20.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 10.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.153 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 5.8 mt -104.96 2.99 30.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 10.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.5 t -96.72 113.31 24.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 10.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 58' ' ' HIS . 3.9 m170 -90.49 103.76 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 10.0 109.544 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.91 -25.33 0.76 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 10.0 109.246 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.499 ' O ' ' CB ' ' A' ' 61' ' ' LEU . . . 93.28 -147.85 18.77 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.491 1.119 . . . . 10.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' GLY . 0.3 OUTLIER 87.32 39.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 10.0 109.328 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.95 103.89 16.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 10.0 109.262 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -94.17 -63.65 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 10.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.79 140.34 42.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 10.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.89 50.03 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.135 . . . . 10.0 109.376 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.18 -41.57 0.1 OUTLIER Glycine 0 CA--C 1.532 1.112 0 O-C-N 124.516 1.135 . . . . 10.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -74.35 112.22 10.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 10.0 110.223 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.521 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.5 p -108.71 145.36 35.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 10.0 109.939 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -94.89 173.86 7.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 10.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.0 m -145.19 145.09 31.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 10.0 110.404 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.849 ' HB2' HD23 ' A' ' 56' ' ' LEU . 3.3 p -145.3 129.46 17.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 10.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.458 HG23 ' CD ' ' A' ' 28' ' ' GLU . 1.9 m -101.2 137.14 39.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 10.0 110.386 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.153 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 43.3 m-85 -119.32 99.47 6.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 10.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.98 -20.4 32.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 10.0 110.385 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' OE1' HG13 ' A' ' 48' ' ' VAL . 31.6 tt0 -107.54 134.22 20.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 10.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 132.88 15.88 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.47 1.774 . . . . 10.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 163.3 157.14 9.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.607 1.192 . . . . 10.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.516 ' OG1' HG22 ' A' ' 96' ' ' VAL . 1.6 m -89.26 125.5 35.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.623 0.837 . . . . 10.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.678 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 87.9 m-85 -109.14 158.3 17.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 10.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.7 m -136.94 148.09 46.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 10.0 110.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.866 ' CD1' HG23 ' A' ' 41' ' ' ILE . 41.5 p90 -151.82 153.61 34.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 10.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -99.75 -150.56 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 8.8 t -163.53 37.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 10.0 108.318 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 54.48 167.9 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 10.0 110.251 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 61.69 5.65 Favored 'Trans proline' 0 C--N 1.358 1.068 0 O-C-N 124.594 1.839 . . . . 10.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.541 ' CE1' ' HB3' ' A' ' 83' ' ' CYS . 0.5 OUTLIER -83.3 82.9 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.586 1.179 . . . . 10.0 109.56 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.55 63.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 10.0 110.357 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.623 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 90.9 -82.82 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 10.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 168.13 -75.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 0.739 . . . . 10.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . 37.44 43.74 1.11 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.495 1.122 . . . . 10.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.547 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -170.44 133.14 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 10.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.801 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.1 OUTLIER -152.56 -83.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 10.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.801 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 65.54 152.19 0.12 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.135 . . . . 10.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.72 143.44 30.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.76 . . . . 10.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 96' ' ' VAL . 18.1 t -94.58 164.61 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 10.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.516 HG22 ' OG1' ' A' ' 78' ' ' THR . 40.4 t -142.65 107.12 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.634 1.209 . . . . 10.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.769 HG11 ' HB3' ' A' ' 73' ' ' PHE . 2.4 t -92.96 117.95 37.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.448 1.093 . . . . 10.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 10.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.617 . . . . 10.0 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -75.25 139.59 42.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 10.0 109.33 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -93.99 151.78 19.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.646 1.217 . . . . 10.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 t -143.81 148.56 35.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.611 1.194 . . . . 10.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.486 HG22 ' HD2' ' A' ' 18' ' ' PRO . 9.0 t -134.96 161.93 39.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 10.0 109.361 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.457 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.4 OUTLIER -114.52 126.17 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 10.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.536 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.7 mpp? -71.25 73.75 0.68 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.142 . . . . 10.0 111.014 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.18 154.84 9.5 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.477 1.111 . . . . 10.0 111.043 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.759 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -74.64 156.02 37.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 0.734 . . . . 10.0 109.995 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -63.79 -61.47 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 10.0 109.345 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 m -39.12 -57.59 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 10.0 110.057 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.06 69.79 0.01 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.545 1.153 . . . . 10.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.759 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -137.67 173.69 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 0.793 . . . . 10.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.865 HD11 ' HA3' ' A' ' 88' ' ' GLY . 1.1 pp -127.04 83.84 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 10.0 109.327 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 m -139.53 -171.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 10.0 109.3 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.608 ' CZ ' ' O ' ' A' ' 92' ' ' VAL . 2.1 p90 -134.07 108.66 8.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.462 1.101 . . . . 10.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 mt-10 -133.62 139.45 33.76 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.148 . . . . 10.0 110.348 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.924 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.01 138.25 54.98 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 111.032 0.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 18' ' ' PRO . 83.7 p -37.56 -42.47 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 10.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -128.84 131.77 47.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 10.0 110.346 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.924 HG12 ' HG2' ' A' ' 18' ' ' PRO . 18.6 m -123.0 151.5 27.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 10.0 109.343 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.578 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -102.3 143.07 32.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 10.0 110.325 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.963 HG23 HG13 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.56 145.13 21.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 10.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' O ' HD13 ' A' ' 23' ' ' ILE . 21.2 mttt -87.88 163.1 16.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 10.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.36 113.76 14.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 10.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 118.79 -31.4 5.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 10.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -74.42 -179.46 4.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 10.0 110.376 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -132.87 173.15 11.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 10.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.771 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 23.1 t -119.67 152.5 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 10.0 109.239 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.41 125.94 49.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.771 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 25.3 m-90 -116.39 99.47 7.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 10.0 108.0 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.1 t -87.6 148.68 4.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 10.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' ND2' ' HB1' ' A' ' 62' ' ' ALA . 0.1 OUTLIER -87.45 130.95 34.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 10.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -99.17 -80.77 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 10.0 109.257 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.648 ' HB3' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -161.24 -178.55 6.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 35' ' ' LYS . 6.2 mp 66.05 67.11 0.47 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -83.33 160.69 59.09 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 10.0 109.993 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.07 -174.55 14.35 Favored 'Cis proline' 0 C--N 1.362 1.24 0 C-N-CA 120.979 -2.509 . . . . 10.0 110.99 0.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -161.13 95.62 1.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.5 1.125 . . . . 10.0 109.674 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.576 ' OD1' HG23 ' A' ' 42' ' ' VAL . 10.8 p30 -104.57 151.41 23.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 10.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.722 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.3 mt -118.5 71.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 10.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.576 HG23 ' OD1' ' A' ' 40' ' ' ASN . 95.8 t -82.61 130.92 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 10.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.722 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.3 m-85 -103.44 141.1 36.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 10.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.17 141.22 32.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.568 1.167 . . . . 10.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.89 76.69 9.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 10.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -104.0 104.39 14.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.168 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 -42.67 3.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.604 1.19 . . . . 10.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.8 t -78.85 165.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.435 0.727 . . . . 10.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.26 165.43 2.01 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 10.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -81.18 -67.09 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 10.0 109.333 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -40.08 -51.74 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 10.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 m -50.91 -64.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 10.0 110.41 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -46.22 -53.84 9.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 10.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -43.97 -52.26 7.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.406 1.066 . . . . 10.0 109.285 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -54.52 -57.4 11.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 10.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.085 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 3.9 mt -63.7 -12.65 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.644 1.215 . . . . 10.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.1 p -81.52 122.49 27.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 10.0 109.937 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.495 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 27.8 m-70 -90.4 102.2 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 10.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.82 39.52 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.349 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.68 -29.62 5.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.411 1.069 . . . . 10.0 110.918 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.07 118.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.486 0.757 . . . . 10.0 109.389 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 63' ' ' PHE . . . -87.11 174.66 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 10.0 109.386 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.475 ' CD2' ' O ' ' A' ' 62' ' ' ALA . 55.4 m-85 -164.14 -42.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 10.0 110.92 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.45 143.61 28.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 10.0 109.267 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.05 85.49 7.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.511 1.132 . . . . 10.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.01 -32.53 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 10.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -80.46 99.93 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.574 0.809 . . . . 10.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.83 153.43 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 10.0 110.003 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -113.79 174.31 5.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.137 . . . . 10.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 23.7 m -144.49 152.45 40.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 10.0 110.481 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.591 ' HB2' HD23 ' A' ' 56' ' ' LEU . 2.5 p -145.44 133.39 21.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 10.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.4 m -104.18 138.52 40.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 10.0 110.36 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.085 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 37.7 m-85 -119.04 98.86 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 10.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.97 -25.61 40.3 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 110.369 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -107.59 131.77 21.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 10.0 110.274 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.06 144.89 30.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 10.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.73 -171.43 36.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.433 1.083 . . . . 10.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 16.1 m -115.4 123.95 49.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.765 . . . . 10.0 110.406 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.714 ' CD1' ' CE1' ' A' ' 73' ' ' PHE . 91.2 m-85 -111.8 164.02 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 10.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 93' ' ' GLY . 51.9 m -135.92 150.51 49.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 110.368 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' A' ' 41' ' ' ILE . 14.8 p90 -152.32 163.01 40.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 10.0 111.038 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.58 177.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.449 ' HB2' ' HE2' ' A' ' 91' ' ' MET . 41.9 m -97.59 137.23 36.83 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 10.0 108.308 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.3 OUTLIER -76.83 -50.71 2.37 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.594 1.184 . . . . 10.0 110.324 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.99 -90.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.424 1.749 . . . . 10.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.911 ' CE1' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER 50.0 -173.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.602 1.189 . . . . 10.0 109.601 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 88' ' ' GLY . 0.3 OUTLIER -158.78 -42.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 10.0 110.333 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.865 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . -34.09 -91.53 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.475 1.109 . . . . 10.0 111.02 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 90' ' ' GLY . . . -148.52 39.34 0.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 10.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . 32.8 86.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 10.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.911 ' HE1' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -76.33 155.2 34.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 0.777 . . . . 10.0 111.054 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.608 ' O ' ' CZ ' ' A' ' 16' ' ' PHE . 4.7 m -152.42 125.83 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 10.0 109.364 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.493 ' HA2' ' CE2' ' A' ' 16' ' ' PHE . . . -117.39 178.6 17.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.545 1.153 . . . . 10.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -144.76 140.07 28.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 0.728 . . . . 10.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.7 t -107.49 161.88 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 10.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' ' 23' ' ' ILE . 77.8 t -132.58 120.82 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 10.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.963 HG13 HG23 ' A' ' 23' ' ' ILE . 1.8 t -115.02 134.69 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.573 1.17 . . . . 10.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.16 . . . . 10.0 109.315 -179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . 0.864 'CU ' ' CE1' ' A' ' 86' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' CB ' ' HG3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.31 -0.626 . . . . 10.0 109.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -144.82 147.47 32.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.533 1.146 . . . . 10.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 22' ' ' THR . . . -130.22 132.63 46.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 10.0 109.232 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -138.85 148.81 44.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 10.0 110.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.2 t -139.2 149.94 23.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.176 . . . . 10.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -103.68 121.35 42.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.065 . . . . 10.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.491 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -63.1 92.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 10.0 110.963 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 111.53 151.14 11.84 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.452 1.095 . . . . 10.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -82.29 138.05 34.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 10.0 110.047 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -42.61 -56.23 3.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 10.0 109.371 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.41 -59.73 2.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 10.0 110.048 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.68 62.65 0.02 OUTLIER Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 10.0 110.984 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.88 167.41 14.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.582 0.813 . . . . 10.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.536 HD21 ' CG ' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -104.66 53.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 10.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.44 127.43 42.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.549 1.156 . . . . 10.0 109.318 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.499 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 50.8 m-85 -76.51 115.21 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 10.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CG ' ' HA ' ' A' ' 18' ' ' PRO . 5.8 tt0 -127.93 136.14 28.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 10.0 110.362 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 138.47 56.28 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.994 -0.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -53.13 -49.21 67.01 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.56 1.163 . . . . 10.0 110.034 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.0 m -104.53 142.3 34.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 10.0 110.389 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 2.8 m -143.17 146.29 21.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.537 1.148 . . . . 10.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.74 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -82.48 142.62 31.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 10.0 110.32 -179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.895 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -144.79 157.44 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 10.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.835 ' H ' HD13 ' A' ' 23' ' ' ILE . 1.1 mmtp -110.77 159.26 17.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 10.0 109.304 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.24 96.49 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 10.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.48 -15.33 8.09 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.411 1.07 . . . . 10.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' A' ' 1' ' ' ALA . 4.9 mp0 -74.8 -179.94 4.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 0.805 . . . . 10.0 110.371 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.579 ' HG3' HG23 ' A' ' 72' ' ' THR . 5.1 mt-10 -128.3 164.01 23.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 10.0 110.291 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.738 HG22 ' HB3' ' A' ' 3' ' ' ALA . 27.5 t -133.86 136.6 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 10.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 139.96 43.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 10.0 109.364 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.511 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 7.4 m-90 -123.1 99.76 6.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 10.0 108.027 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.5 t -86.4 136.48 22.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 10.0 109.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.07 139.46 36.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 10.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -111.29 -66.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.624 1.203 . . . . 10.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -161.46 -169.22 2.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 10.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.29 70.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 10.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.508 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 16.0 m -93.14 149.69 37.9 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 10.0 110.034 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.04 -166.45 4.9 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.964 0.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.1 OUTLIER -156.38 118.65 4.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 10.0 109.609 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 5.9 m120 -121.11 142.27 50.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.514 1.134 . . . . 10.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.753 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.0 mt -123.89 69.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 10.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.9 t -78.71 142.8 13.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 10.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.753 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -116.28 139.1 50.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 10.0 110.992 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.11 148.15 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 10.0 109.318 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.76 75.98 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.376 1.048 . . . . 10.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -101.77 104.9 15.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 10.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.95 -41.99 3.13 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.518 1.136 . . . . 10.0 111.0 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG12 ' N ' ' A' ' 49' ' ' ASP . 38.9 t -83.57 168.42 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.445 0.733 . . . . 10.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' N ' HG12 ' A' ' 48' ' ' VAL . 22.2 m-20 -62.67 170.97 2.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 10.0 109.364 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.32 -63.22 1.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.586 1.179 . . . . 10.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.87 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 3.7 m-20 -45.39 -45.46 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 10.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -55.15 -64.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.418 1.074 . . . . 10.0 110.408 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -50.66 -24.64 3.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 10.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.87 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -58.15 -62.53 1.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 10.0 109.402 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt -56.95 -36.6 70.46 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.338 1.024 . . . . 10.0 109.274 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.61 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -70.18 -26.17 63.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.401 1.063 . . . . 10.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 35.8 t -77.73 141.06 39.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 10.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 31.7 m-70 -105.26 99.67 9.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.172 . . . . 10.0 109.63 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -97.32 34.79 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 10.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.36 -130.8 6.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.484 1.115 . . . . 10.0 111.029 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD23 ' HB2' ' A' ' 38' ' ' PRO . 0.1 OUTLIER 179.39 122.61 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 0.742 . . . . 10.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -120.63 128.63 53.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 10.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 10.6 p90 -144.71 -45.28 0.24 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.352 1.032 . . . . 10.0 111.003 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.59 108.59 13.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 10.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.79 118.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 10.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.67 -40.08 1.5 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.572 1.17 . . . . 10.0 110.96 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -75.23 104.79 5.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 0.745 . . . . 10.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.63 127.1 48.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 10.0 110.033 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 13.4 m-85 -88.78 176.94 6.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.419 1.075 . . . . 10.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 59.5 m -144.87 159.02 43.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 10.0 110.353 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.541 ' OG ' HD13 ' A' ' 56' ' ' LEU . 6.1 t -144.8 147.14 32.54 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 10.0 109.941 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 28' ' ' GLU . 4.6 m -121.72 115.17 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 10.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.755 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -91.63 99.28 12.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 10.0 110.98 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -86.43 -27.32 24.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 10.0 110.447 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -100.36 126.7 35.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 10.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.458 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -74.99 87.61 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.475 1.776 . . . . 10.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.88 -148.38 4.93 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.144 . . . . 10.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.9 m -136.96 102.23 4.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 10.0 110.426 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.755 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 62.4 m-85 -83.56 147.45 27.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 10.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 43.1 m -123.36 143.81 49.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 10.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -144.34 149.48 36.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 10.0 111.069 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 20.3 p90 -153.74 121.36 5.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 10.0 111.009 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -42.48 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 10.0 108.288 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.45 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -38.69 -54.91 2.86 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 10.0 110.249 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.45 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 17.7 Cg_endo -75.03 -164.07 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 10.0 110.974 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.536 ' CG ' HD21 ' A' ' 14' ' ' LEU . 6.0 m170 66.01 -74.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 10.0 109.574 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 85' ' ' PRO . 0.9 OUTLIER 66.74 -70.59 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 10.0 110.267 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -37.43 -65.98 0.58 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.487 1.117 . . . . 10.0 111.044 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 14' ' ' LEU . . . -41.74 -51.1 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 0.791 . . . . 10.0 109.243 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 79.78 60.23 2.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.453 1.095 . . . . 10.0 111.033 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.499 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 5.0 mtt -64.75 118.01 8.33 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 10.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.543 HG12 ' H ' ' A' ' 93' ' ' GLY . 6.2 t -105.15 171.56 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 10.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.543 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 145.97 138.33 3.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 10.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -144.6 158.82 43.6 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.464 0.743 . . . . 10.0 109.238 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 t -108.66 158.88 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 10.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.2 t -137.18 122.42 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 10.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.6 t -105.41 135.41 43.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 10.0 109.372 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.403 1.064 . . . . 10.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.367 -0.605 . . . . 10.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.4 p30 -75.42 157.39 34.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 10.0 109.342 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -88.24 152.51 21.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.2 t -145.8 157.41 43.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 10.0 110.383 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.57 ' CG2' HG11 ' A' ' 21' ' ' VAL . 34.5 t -145.49 144.84 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.447 1.092 . . . . 10.0 109.223 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -96.26 127.18 42.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.589 1.181 . . . . 10.0 109.272 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 1.025 ' SD ' HD11 ' A' ' 41' ' ' ILE . 18.9 mtm -64.66 90.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 109.59 -142.35 16.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 10.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.409 ' O ' ' OD1' ' A' ' 34' ' ' ASN . 1.6 t -134.98 160.39 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 10.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.44 -65.17 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -48.22 67.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.997 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.672 ' HA2' HD22 ' A' ' 36' ' ' LEU . . . 123.13 56.72 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 10.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 178.18 4.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 10.0 109.29 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 ' O ' HG22 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -75.13 -163.33 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 10.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.755 HG22 ' O ' ' A' ' 14' ' ' LEU . 7.1 m 50.93 177.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.595 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 60.8 m-85 -125.82 141.37 52.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.457 1.098 . . . . 10.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 18' ' ' PRO . 0.6 OUTLIER -135.73 130.45 18.76 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 10.0 110.304 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.561 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.5 Cg_endo -74.94 135.54 40.97 Favored 'Cis proline' 0 C--N 1.359 1.111 0 C-N-CA 121.038 -2.484 . . . . 10.0 111.055 -0.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 m -54.93 -51.78 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.563 1.164 . . . . 10.0 110.002 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.2 m -108.84 138.84 44.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 10.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.57 HG11 ' CG2' ' A' ' 5' ' ' VAL . 20.5 m -142.09 145.71 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 10.0 109.335 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.91 138.68 31.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 10.0 110.41 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.912 HD12 HG23 ' A' ' 29' ' ' VAL . 8.3 tt -141.9 159.92 20.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 10.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.1 mmtt -95.95 161.28 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.406 1.066 . . . . 10.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.23 87.01 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 10.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 144.3 -22.57 2.06 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 10.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.95 -178.53 3.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 10.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -129.52 173.84 10.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 10.0 110.309 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.912 HG23 HD12 ' A' ' 23' ' ' ILE . 3.6 t -131.49 142.43 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 10.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.3 ttmm -116.27 125.61 52.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.486 1.116 . . . . 10.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.586 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.3 m-90 -112.29 100.06 8.51 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -88.35 143.61 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 10.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -79.71 119.25 22.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 10.0 109.356 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' SER . 2.1 t-20 -85.23 -71.15 0.54 Allowed 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.464 1.103 . . . . 10.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.658 ' C ' HD23 ' A' ' 36' ' ' LEU . 16.0 tptt -167.2 -157.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 10.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.672 HD22 ' HA2' ' A' ' 12' ' ' GLY . 1.0 OUTLIER 43.04 62.38 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 10.0 109.246 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.48 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 1.4 m -83.44 160.14 60.02 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 10.0 110.052 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.571 ' HB3' ' CE1' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.91 -172.56 10.89 Favored 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.032 -2.487 . . . . 10.0 110.992 -0.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.29 97.31 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.511 1.132 . . . . 10.0 109.65 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.662 ' OD1' HD12 ' A' ' 61' ' ' LEU . 13.9 m-80 -93.47 146.22 23.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 10.0 109.38 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 1.025 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.8 mt -123.68 81.02 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 10.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -87.01 147.95 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.85 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -125.31 131.51 53.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 10.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.38 160.21 24.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 10.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -120.73 75.83 1.16 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 10.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.72 -71.48 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 10.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 14.96 64.21 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.432 1.082 . . . . 10.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.559 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.09 154.05 39.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.491 0.759 . . . . 10.0 109.379 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.52 162.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 10.0 109.244 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.65 -46.15 22.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.633 1.208 . . . . 10.0 109.355 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -61.22 -45.67 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.316 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.4 m -61.21 -63.35 1.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 10.0 110.347 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -50.22 -38.0 38.15 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.456 1.098 . . . . 10.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -54.82 -51.88 64.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 10.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.53 -53.77 54.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 10.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD23 ' CE1' ' A' ' 73' ' ' PHE . 3.8 mp -64.55 -14.86 59.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 10.0 109.369 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.3 t -86.79 112.79 22.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 10.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 8.3 m-70 -80.76 104.39 11.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 10.0 109.584 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.9 35.57 2.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 10.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.92 -145.07 13.4 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 10.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.662 HD12 ' OD1' ' A' ' 40' ' ' ASN . 8.8 tp -162.1 124.68 2.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 0.746 . . . . 10.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -109.96 157.44 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 10.0 109.217 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 38' ' ' PRO . 35.3 m-85 -154.74 -46.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 10.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 141.39 31.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 10.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.79 50.81 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 10.0 109.359 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.19 -43.45 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.386 1.054 . . . . 10.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -76.89 145.65 38.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 0.767 . . . . 10.0 110.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -145.5 143.52 30.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 110.017 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 32.9 m-85 -96.13 172.62 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 10.0 111.015 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 18.6 m -145.52 146.78 31.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 10.0 110.423 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.531 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 12.7 p -144.43 124.92 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 10.0 109.978 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 88.7 m -86.9 125.66 34.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 10.0 110.41 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.945 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -93.94 98.55 11.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 10.0 111.016 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.3 m -93.07 -49.95 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 10.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.489 ' O ' HG21 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -71.72 120.46 80.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 10.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.547 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.01 61.03 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.47 1.774 . . . . 10.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -119.19 -142.68 6.88 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.573 1.17 . . . . 10.0 110.987 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -143.03 106.49 4.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 10.0 110.379 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.582 ' CD2' HD22 ' A' ' 56' ' ' LEU . 53.1 m-85 -87.16 152.86 21.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 10.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 95.2 m -131.81 149.62 52.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 10.0 110.374 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -147.59 152.33 37.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 10.0 111.013 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 3.7 p90 -158.43 110.42 2.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 10.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.431 ' CB ' ' SD ' ' A' ' 91' ' ' MET . 1.6 t -44.56 102.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 10.0 108.228 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.55 ' HG3' ' CE2' ' A' ' 82' ' ' TYR . 0.1 OUTLIER -76.96 -55.73 1.39 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 10.0 110.262 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.0 55.7 4.03 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.526 1.803 . . . . 10.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.584 ' CE1' ' HE1' ' A' ' 91' ' ' MET . 11.2 t60 -113.28 146.98 38.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 10.0 109.644 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -54.75 43.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -61.47 -117.42 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.433 1.083 . . . . 10.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 164.05 100.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.61 0.829 . . . . 10.0 109.275 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 156.84 -94.59 0.14 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 10.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.595 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 50.82 101.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 0.735 . . . . 10.0 110.954 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.7 m -98.64 167.65 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 10.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 138.55 129.96 2.73 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.546 1.154 . . . . 10.0 111.074 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -143.98 170.61 15.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 0.758 . . . . 10.0 109.262 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.436 ' CG1' ' CE2' ' A' ' 73' ' ' PHE . 2.4 t -124.88 158.17 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 10.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.2 t -135.53 114.9 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 10.0 109.264 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.945 HG22 ' CD2' ' A' ' 73' ' ' PHE . 11.8 t -74.39 152.87 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.432 1.082 . . . . 10.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 23' ' ' ILE . 11.0 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 10.0 109.238 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HB3' ' HE3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.331 -0.618 . . . . 10.0 109.331 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -135.95 149.04 48.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 10.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -100.6 136.22 40.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.418 1.074 . . . . 10.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 10.2 t -132.54 146.36 51.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 10.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.501 HG22 ' HD2' ' A' ' 18' ' ' PRO . 5.0 t -136.77 138.2 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 10.0 109.389 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 8' ' ' GLY . 1.2 pttp -82.64 52.81 2.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 10.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.661 ' HG2' HD11 ' A' ' 41' ' ' ILE . 24.8 mtt 37.2 -94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 10.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -70.71 -161.63 3.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 10.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -119.69 151.89 38.02 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 0.774 . . . . 10.0 110.044 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -60.69 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 10.0 109.34 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.7 t -41.91 -47.82 4.35 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.519 1.137 . . . . 10.0 110.003 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.08 63.67 0.24 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.595 1.184 . . . . 10.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -126.83 139.41 53.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 10.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -75.2 76.57 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 10.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.782 HG13 ' N ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -160.85 -163.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 10.0 109.303 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.782 ' N ' HG13 ' A' ' 15' ' ' VAL . 69.1 m-85 -137.85 135.69 36.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -136.06 136.23 22.61 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 10.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.862 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.95 137.25 49.28 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 10.0 111.046 -0.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' PRO . 3.2 m -35.27 -49.96 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 10.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -120.75 139.33 53.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 10.0 110.343 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.862 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.0 m -130.97 144.16 38.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.433 1.083 . . . . 10.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -85.31 138.48 32.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 10.0 110.362 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.58 HD12 HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -145.87 152.45 14.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 10.0 109.304 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 1' ' ' ALA . 9.5 mttm -93.68 157.21 16.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 10.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.94 114.26 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.98 -11.3 37.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.505 1.128 . . . . 10.0 111.06 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -75.21 -179.31 4.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 10.0 110.345 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' HG3' HG23 ' A' ' 72' ' ' THR . 3.2 mp0 -128.82 163.07 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 10.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 23' ' ' ILE . 2.3 t -123.18 157.85 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 10.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 4' ' ' THR . 2.6 ttpt -131.17 128.26 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 109.269 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.495 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 4.9 m-90 -116.71 99.56 7.21 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.984 -1.117 . . . . 10.0 107.984 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.3 t -84.23 144.0 10.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 10.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.419 HD22 ' HB1' ' A' ' 62' ' ' ALA . 49.8 t-20 -83.44 134.91 34.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 10.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -121.12 -68.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 10.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -154.99 -168.62 2.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 10.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 60.98 69.94 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.634 1.209 . . . . 10.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.529 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -132.73 162.06 59.69 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 10.0 109.982 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.529 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -75.0 173.54 57.39 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 120.996 -2.501 . . . . 10.0 110.998 -0.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.607 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 2.4 p80 -176.78 167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 10.0 109.591 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 46.9 p30 -140.97 168.6 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 10.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.769 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.0 mt -126.17 83.81 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.63 1.206 . . . . 10.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.426 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 93.5 t -80.88 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 10.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.769 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.0 m-85 -118.19 144.49 45.69 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.543 1.152 . . . . 10.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.78 144.77 31.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 10.0 109.303 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.58 76.69 9.52 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.44 1.088 . . . . 10.0 109.331 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -96.07 100.19 11.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 10.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -30.79 5.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 10.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 49' ' ' ASP . 25.7 t -94.21 163.45 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 10.0 109.265 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' N ' HG12 ' A' ' 48' ' ' VAL . 72.9 m-20 -58.75 164.29 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.52 -55.72 4.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 10.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.874 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 2.8 m-20 -46.95 -49.06 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 10.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -55.25 -62.32 1.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.455 1.097 . . . . 10.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.74 -24.46 15.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.874 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -55.66 -67.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 10.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -52.95 -43.12 66.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.67 HD21 ' CD1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.414 1.071 . . . . 10.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -74.68 114.45 13.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 10.0 109.974 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.9 m-70 -74.6 99.98 3.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 10.0 109.652 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.1 37.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 10.0 109.375 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -119.25 -146.73 7.93 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 10.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.64 HD23 ' CZ ' ' A' ' 63' ' ' PHE . 6.0 tp -172.79 124.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 0.777 . . . . 10.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.419 ' HB1' HD22 ' A' ' 33' ' ' ASN . . . -104.7 144.31 31.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 10.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.64 ' CZ ' HD23 ' A' ' 61' ' ' LEU . 40.1 m-85 -131.24 -58.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.73 130.31 38.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 10.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.73 90.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 175.47 -36.17 0.1 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 10.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.52 109.07 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 10.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.4 p -111.9 153.93 25.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.087 . . . . 10.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 24.7 m-85 -104.69 172.72 6.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 10.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 84.9 m -145.29 154.31 42.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 10.0 110.432 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 89.3 p -141.15 174.8 10.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 10.0 109.978 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 28' ' ' GLU . 26.3 m -145.68 110.69 5.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 10.0 110.437 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.724 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.4 m-85 -89.5 98.73 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 10.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.11 -60.62 2.25 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.401 1.063 . . . . 10.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.58 127.64 91.79 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 10.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -74.94 80.59 2.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.53 1.805 . . . . 10.0 111.055 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.07 -146.66 5.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 10.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.4 t -137.15 117.67 13.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.574 0.808 . . . . 10.0 110.371 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.724 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 45.7 m-85 -97.04 160.0 14.59 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 10.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.514 HG23 ' HG2' ' A' ' 94' ' ' LYS . 21.3 m -137.53 153.21 50.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 10.0 110.507 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 8.2 p90 -148.91 152.45 36.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 10.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -143.66 136.13 27.08 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 10.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 1.8 t -92.43 96.1 10.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.352 1.033 . . . . 10.0 108.311 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.6 OUTLIER -73.36 -51.56 5.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 10.0 110.242 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.98 64.19 6.02 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 10.0 110.973 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.607 ' CE1' ' CB ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -144.15 36.46 1.24 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 10.0 109.558 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 88' ' ' GLY . 4.4 ttt180 58.91 45.48 15.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 10.0 110.406 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 87' ' ' ARG . . . 37.25 91.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.648 1.217 . . . . 10.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -125.4 -55.43 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 0.791 . . . . 10.0 109.255 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 150.34 -78.71 0.21 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.51 1.131 . . . . 10.0 111.04 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.576 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 1.7 mtt 44.05 92.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.587 0.816 . . . . 10.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 93' ' ' GLY . 71.0 t -99.63 -95.94 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.298 0.999 . . . . 10.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.516 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.82 135.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.586 1.179 . . . . 10.0 110.994 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.514 ' HG2' HG23 ' A' ' 80' ' ' THR . 69.1 mttt -138.87 176.91 8.29 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.549 0.793 . . . . 10.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 96' ' ' VAL . 58.2 t -123.12 165.91 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 10.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.502 ' N ' HG12 ' A' ' 95' ' ' VAL . 99.1 t -145.19 115.54 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.585 1.178 . . . . 10.0 109.199 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 76' ' ' PRO . 2.4 t -91.12 142.77 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 10.0 109.289 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.486 1.116 . . . . 10.0 109.362 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.67 173.9 10.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 10.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -80.26 156.96 26.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 10.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.1 t -146.54 155.38 42.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 10.0 110.452 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.533 ' CG2' HG11 ' A' ' 21' ' ' VAL . 4.0 t -145.05 150.14 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 10.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.1 117.4 34.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 10.0 109.201 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -44.97 -73.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 10.0 111.046 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.63 140.59 24.49 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.6 1.188 . . . . 10.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.645 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -75.03 156.46 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 0.736 . . . . 10.0 109.968 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.14 -39.15 81.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 10.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.72 40.94 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 10.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.492 ' HA2' HD11 ' A' ' 36' ' ' LEU . . . 40.02 50.38 3.48 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 10.0 111.084 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -104.98 163.26 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 10.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD22 ' HE2' ' A' ' 91' ' ' MET . 18.6 mt -84.07 -59.76 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 10.0 109.225 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.6 m -41.16 128.42 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 10.0 109.225 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.6 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 72.1 m-85 -75.25 135.3 40.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 10.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 21.9 tt0 -134.21 131.69 20.8 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 10.0 110.323 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.479 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.03 132.41 27.47 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.006 -2.498 . . . . 10.0 110.97 -0.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.435 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 79.4 p -51.39 -53.43 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 10.0 110.034 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.9 m -102.7 139.09 38.74 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 10.0 110.434 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG11 ' CG2' ' A' ' 5' ' ' VAL . 23.0 m -144.91 134.35 18.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 10.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 m -82.88 145.47 29.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 10.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.825 HD12 HG23 ' A' ' 29' ' ' VAL . 5.7 tt -145.79 158.9 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 10.0 109.233 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -94.45 161.53 14.18 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.503 1.127 . . . . 10.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.31 104.31 6.76 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 10.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.24 -13.08 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.545 1.153 . . . . 10.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -74.75 -179.35 4.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.394 0.702 . . . . 10.0 110.369 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.635 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -127.11 178.21 6.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 10.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.825 HG23 HD12 ' A' ' 23' ' ' ILE . 2.9 t -145.39 126.95 8.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 10.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -101.82 120.45 40.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 10.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.702 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 9.0 m-90 -103.99 99.78 9.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.047 -1.094 . . . . 10.0 108.047 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.3 t -91.42 143.57 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 10.0 109.357 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -93.37 119.42 32.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.63 1.206 . . . . 10.0 109.266 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -90.58 -62.63 1.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 10.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -172.47 3.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 10.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 2.6 mp 67.44 68.19 0.38 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.494 1.121 . . . . 10.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.511 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.4 p -95.13 151.73 38.99 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.483 1.114 . . . . 10.0 110.021 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.4 Cg_endo -74.94 -165.35 4.1 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.952 -2.52 . . . . 10.0 111.039 -0.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -165.93 121.8 1.3 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.495 1.122 . . . . 10.0 109.623 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -122.1 137.88 54.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 10.0 109.339 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.1 mp -109.88 69.95 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 10.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 96.4 t -81.36 140.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 10.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.81 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.8 m-85 -116.74 130.37 56.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 10.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.466 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -88.14 149.38 23.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 10.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -102.1 80.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 10.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -100.33 -65.87 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.596 1.185 . . . . 10.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.56 9.37 64.48 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 10.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.436 HG11 ' CE2' ' A' ' 79' ' ' TYR . 5.2 t -129.78 162.99 36.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.565 0.803 . . . . 10.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.16 171.54 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.82 -53.4 6.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 10.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.28 -47.69 78.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 10.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -57.96 -53.97 52.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 10.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.608 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -61.06 -24.73 66.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 10.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.76 -64.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.625 1.203 . . . . 10.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -48.64 70.77 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 10.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -62.39 -28.0 69.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 10.0 109.34 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 4.8 t -77.47 122.54 25.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 109.949 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 47.7 m-70 -93.49 101.29 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 10.0 109.684 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.06 -40.42 46.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.127 . . . . 10.0 109.275 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.67 170.85 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.473 1.108 . . . . 10.0 110.995 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD22 ' HB2' ' A' ' 38' ' ' PRO . 4.4 mt -119.62 138.1 53.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 0.715 . . . . 10.0 109.354 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -127.66 107.71 10.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 10.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -118.92 -40.74 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 10.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 120.72 25.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.415 1.072 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.91 168.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 10.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.86 -39.27 3.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.414 1.071 . . . . 10.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -83.35 113.33 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 10.0 110.259 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -135.51 139.26 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 10.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.62 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 15.9 m-85 -97.92 173.0 7.29 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.501 1.126 . . . . 10.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.7 m -145.17 153.1 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 10.0 110.428 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.494 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 10.9 p -137.06 -179.79 5.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.439 1.087 . . . . 10.0 110.008 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.635 HG23 ' HG3' ' A' ' 28' ' ' GLU . 15.4 m -143.01 138.56 30.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 10.0 110.46 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.801 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -111.89 98.72 7.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 10.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.56 -39.36 24.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 10.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.93 125.99 53.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 10.0 110.306 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.436 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.01 85.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.572 1.827 . . . . 10.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.45 -138.56 3.76 Favored Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.397 1.061 . . . . 10.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.3 m -143.82 107.37 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.807 ' CE2' HD13 ' A' ' 56' ' ' LEU . 32.6 m-85 -87.54 151.73 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 29.3 m -126.25 143.56 51.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 10.0 110.415 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.423 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 35.4 p90 -152.86 157.19 40.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.407 1.067 . . . . 10.0 111.052 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.466 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -160.13 177.95 10.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.469 1.105 . . . . 10.0 111.02 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.2 m -101.34 110.42 22.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 10.0 108.267 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.523 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.1 mt-10 -88.55 -58.51 0.27 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 10.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.523 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.95 -54.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.788 . . . . 10.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' CD2' ' HE1' ' A' ' 91' ' ' MET . 0.6 OUTLIER -33.86 123.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 10.0 109.624 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.52 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -45.68 118.54 1.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.386 1.054 . . . . 10.0 110.263 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 79.73 95.17 0.34 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.422 1.076 . . . . 10.0 110.978 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.28 -93.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 0.773 . . . . 10.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.24 -126.76 6.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 10.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.6 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 25.9 mtt 57.2 161.06 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 10.0 110.99 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.461 HG13 ' C ' ' A' ' 91' ' ' MET . 35.9 m -155.71 125.77 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.604 1.19 . . . . 10.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.66 135.16 2.26 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.567 1.167 . . . . 10.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.89 161.65 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 0.753 . . . . 10.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -104.71 153.0 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 10.0 109.308 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -138.61 112.3 7.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 O-C-N 124.608 1.193 . . . . 10.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.687 HG12 ' H ' ' A' ' 98' ' ' ASP . 2.9 t -80.33 177.24 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 10.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.687 ' H ' HG12 ' A' ' 97' ' ' VAL . 21.5 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 10.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.356 -0.609 . . . . 10.0 109.356 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -85.85 156.49 20.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 10.0 109.394 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.778 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -101.62 156.66 17.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 10.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -138.94 153.31 48.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 10.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.568 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 54.4 t -145.56 138.03 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 10.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -94.95 129.73 41.88 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 10.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.675 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.9 OUTLIER -77.98 82.85 4.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 10.0 111.018 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.7 -155.42 16.24 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.486 1.116 . . . . 10.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -139.08 151.53 46.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 0.777 . . . . 10.0 110.005 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -46.14 -59.0 3.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.564 1.165 . . . . 10.0 109.33 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -63.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.114 . . . . 10.0 109.94 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.78 88.81 0.1 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 10.0 110.981 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.06 150.43 44.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 0.722 . . . . 10.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 HD22 ' CB ' ' A' ' 89' ' ' ALA . 2.5 mp -85.34 58.0 4.78 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.529 1.143 . . . . 10.0 109.355 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 m -136.49 166.07 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.564 1.165 . . . . 10.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.602 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 29.1 m-85 -126.34 110.23 13.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 10.0 110.93 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.2 tt0 -127.18 128.36 24.12 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.479 1.112 . . . . 10.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.434 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 141.48 71.91 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.073 -2.47 . . . . 10.0 110.966 -0.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.58 -44.45 43.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 10.0 109.959 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.4 m -113.91 133.56 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 10.0 110.407 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.21 167.62 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 10.0 109.351 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -99.2 150.77 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 10.0 110.456 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.771 HD13 ' N ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -145.5 143.92 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 10.0 109.307 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.771 ' N ' HD13 ' A' ' 23' ' ' ILE . 8.9 mmtt -88.28 140.12 29.8 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.526 1.141 . . . . 10.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.34 99.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.487 1.117 . . . . 10.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.58 -26.87 4.8 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.405 1.066 . . . . 10.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -178.73 3.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.494 0.761 . . . . 10.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -133.53 171.58 13.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 10.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.838 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -126.62 161.13 33.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -124.99 120.68 32.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 10.0 109.344 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CD1' ' HB ' ' A' ' 5' ' ' VAL . 8.3 m-90 -106.72 99.81 9.36 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.93 -1.137 . . . . 10.0 107.93 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -86.6 143.27 11.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 10.0 109.355 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -85.76 122.74 30.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 10.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -91.7 -77.23 0.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 10.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.37 178.91 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 10.0 109.315 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD12 ' HE2' ' A' ' 86' ' ' HIS . 0.5 OUTLIER 72.52 70.3 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.38 1.05 . . . . 10.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 1.2 p -89.69 157.27 46.84 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 10.0 109.93 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.07 -169.57 7.49 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.987 -2.505 . . . . 10.0 110.963 0.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -156.71 92.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 10.0 109.616 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -93.62 138.14 32.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.103 . . . . 10.0 109.249 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.836 HG22 ' CE1' ' A' ' 43' ' ' PHE . 4.4 mt -119.1 65.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 10.0 109.327 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.74 129.83 36.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 10.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.836 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.6 m-85 -102.63 143.18 32.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 10.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.7 146.36 26.61 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.545 1.153 . . . . 10.0 109.349 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -86.9 75.02 9.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 10.0 109.358 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.68 100.04 10.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 10.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.76 -28.95 6.63 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 10.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.517 ' CG1' HG21 ' A' ' 52' ' ' THR . 16.4 t -90.97 168.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 0.791 . . . . 10.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.65 170.1 6.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.394 1.059 . . . . 10.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.22 -54.75 5.67 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.484 1.115 . . . . 10.0 109.241 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.746 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -54.6 -38.01 66.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.421 1.075 . . . . 10.0 109.324 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.517 HG21 ' CG1' ' A' ' 48' ' ' VAL . 2.9 m -61.54 -62.58 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 10.0 110.419 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -53.96 -22.31 10.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 10.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.76 -63.46 1.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 10.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -57.25 -44.04 83.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 10.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.592 ' HG ' ' CE2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -63.8 -29.42 70.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.414 1.071 . . . . 10.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.05 147.24 40.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 10.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 18.9 m-70 -112.36 99.04 7.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 10.0 109.525 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -99.05 40.87 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.31 -132.53 6.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.523 1.139 . . . . 10.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.94 130.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 10.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -127.43 151.61 48.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 10.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -160.1 -44.95 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.589 1.18 . . . . 10.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.47 119.23 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 10.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.71 91.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 10.0 109.39 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.89 -37.71 0.18 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 10.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.87 106.47 16.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 10.0 110.259 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.1 m -118.12 140.73 49.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 10.0 110.03 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.484 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.5 m-85 -94.31 169.37 10.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 10.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.838 HG23 ' O ' ' A' ' 29' ' ' VAL . 28.2 m -145.69 148.41 33.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 10.0 110.402 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 10.9 p -138.68 154.16 48.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 10.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.552 ' O ' HD21 ' A' ' 56' ' ' LEU . 4.0 m -121.32 119.49 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 10.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.686 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.9 m-85 -88.11 97.91 11.25 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.54 1.15 . . . . 10.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -54.6 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 10.0 110.41 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.38 130.55 58.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 10.0 110.249 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.451 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.09 87.42 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.518 1.799 . . . . 10.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.88 -143.59 4.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.58 1.175 . . . . 10.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.8 m -141.68 99.87 3.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 10.0 110.408 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.686 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 70.2 m-85 -83.3 147.57 27.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 10.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 87.3 m -132.8 148.9 52.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 10.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -144.96 153.43 41.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.604 1.19 . . . . 10.0 111.035 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -135.35 169.87 16.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 10.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.17 68.0 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 10.0 108.278 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.56 -51.89 63.34 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 10.0 110.307 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.07 65.12 6.13 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.422 1.749 . . . . 10.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.582 ' HE2' HD12 ' A' ' 36' ' ' LEU . 9.6 t-160 -172.37 62.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 10.0 109.651 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 45.42 84.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.447 1.092 . . . . 10.0 110.285 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -42.87 101.25 0.02 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.401 1.063 . . . . 10.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.598 ' CB ' HD22 ' A' ' 14' ' ' LEU . . . -118.25 -70.39 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 10.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.13 84.46 0.06 OUTLIER Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.553 1.158 . . . . 10.0 110.97 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.602 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 3.4 mtm -128.11 128.83 45.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 0.758 . . . . 10.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.771 HG22 ' N ' ' A' ' 93' ' ' GLY . 0.6 OUTLIER -132.16 -93.36 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 10.0 109.334 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.771 ' N ' HG22 ' A' ' 92' ' ' VAL . . . 66.8 132.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 10.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.15 149.23 36.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.756 . . . . 10.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.9 t -109.25 157.4 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 10.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.1 t -141.17 126.56 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 10.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.654 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -93.41 130.36 42.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 10.0 109.35 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.593 1.183 . . . . 10.0 109.297 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -75.21 151.72 38.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 10.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -95.51 125.98 40.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 11.0 t -120.74 149.39 42.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.396 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 21' ' ' VAL . 89.5 t -134.81 141.86 41.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 10.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.13 134.62 35.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 10.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.622 ' SD ' HD11 ' A' ' 41' ' ' ILE . 4.2 mtm -71.89 75.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.612 1.195 . . . . 10.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.57 -138.94 13.19 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 10.0 111.076 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -145.11 159.21 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 10.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.6 -53.45 41.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 10.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.62 -53.19 9.55 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 1.135 . . . . 10.0 109.968 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 123.58 58.69 0.19 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 10.0 111.018 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.2 42.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 10.0 109.366 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.619 ' O ' HG13 ' A' ' 15' ' ' VAL . 0.5 OUTLIER -75.75 60.58 1.31 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 10.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 14' ' ' LEU . 17.1 m -158.42 148.52 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 10.0 109.319 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.545 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 0.8 OUTLIER -114.79 132.63 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 10.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.0 mt-10 -137.37 139.95 29.16 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 10.0 110.305 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.99 132.46 27.64 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 120.938 -2.526 . . . . 10.0 111.027 -0.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.46 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 89.8 p -63.08 -15.28 56.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 10.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.0 m -141.78 136.17 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 10.0 110.458 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 5' ' ' VAL . 1.8 t -135.32 175.64 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.568 ' H ' HG12 ' A' ' 21' ' ' VAL . 0.8 OUTLIER -106.32 136.86 45.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 10.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.668 HG23 HG13 ' A' ' 97' ' ' VAL . 0.3 OUTLIER -137.94 155.53 30.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.443 1.09 . . . . 10.0 109.238 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.73 154.06 18.26 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.412 1.07 . . . . 10.0 109.345 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.91 101.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 10.0 109.37 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.24 -18.67 8.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.428 1.08 . . . . 10.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -74.03 -179.88 4.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.469 0.746 . . . . 10.0 110.339 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.9 pm0 -129.99 177.39 7.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 10.0 110.269 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.1 t -133.24 155.77 41.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 10.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 4' ' ' THR . 5.5 ttmm -125.86 134.95 51.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 10.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.577 ' CH2' ' HB3' ' A' ' 71' ' ' SER . 8.3 m-90 -124.04 99.65 6.35 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 10.0 107.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.0 t -87.35 143.33 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 10.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -74.94 133.32 41.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 10.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -107.52 -68.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 10.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.13 -173.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 10.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 67.4 62.89 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 10.0 109.267 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.504 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 6.2 p -85.53 153.51 58.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 10.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -75.05 -168.09 6.2 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.002 -2.499 . . . . 10.0 111.073 -0.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -149.16 140.91 23.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 10.0 109.498 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.05 135.88 22.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.622 HD11 ' SD ' ' A' ' 7' ' ' MET . 2.3 mt -125.68 71.88 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 10.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 11.0 t -77.36 138.49 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.502 1.126 . . . . 10.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.4 m-85 -109.42 147.66 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 10.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -102.53 146.31 28.31 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 10.0 109.359 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.08 78.09 6.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 10.0 109.359 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -106.86 97.01 6.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 10.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.46 -25.64 12.47 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.153 . . . . 10.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.706 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -96.39 152.85 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 10.0 109.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -53.59 155.76 2.92 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.497 1.123 . . . . 10.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.17 -56.14 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 10.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -49.87 -40.39 42.49 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.583 1.177 . . . . 10.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.9 m -64.05 -67.61 0.42 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.423 1.077 . . . . 10.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -44.15 -38.68 3.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.44 1.087 . . . . 10.0 109.208 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -50.2 -58.72 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 10.0 109.262 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.35 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 10.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD23 ' CE1' ' A' ' 73' ' ' PHE . 2.2 mp -73.09 -4.94 35.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 10.0 109.319 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -91.73 133.45 35.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.042 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 12.4 m-70 -112.66 99.65 8.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 10.0 109.585 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -43.7 -32.66 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 10.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.01 131.47 7.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.125 . . . . 10.0 111.01 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 61' ' ' LEU . 0.2 OUTLIER -179.99 41.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.788 . . . . 10.0 109.225 179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -103.33 110.73 22.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 10.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 55.8 m-85 -122.52 -64.26 1.21 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 10.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.93 141.89 34.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 10.0 109.269 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.72 86.09 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 10.0 109.276 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 179.74 -39.65 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 1.2 mt-10 -80.0 100.71 8.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.559 0.8 . . . . 10.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 36.4 p -109.34 151.56 26.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 10.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.462 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 11.2 m-85 -104.52 172.25 6.9 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.495 1.122 . . . . 10.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 91.8 m -143.76 154.22 43.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 10.0 110.397 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.577 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 2.4 t -145.42 148.74 33.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 10.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.438 ' O ' HD11 ' A' ' 56' ' ' LEU . 16.2 m -123.2 127.78 49.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.428 1.08 . . . . 10.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.727 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.7 m-85 -104.5 99.06 8.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 10.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.38 -36.76 29.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.378 1.049 . . . . 10.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -92.29 125.61 55.74 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 10.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.442 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.1 85.85 1.49 Allowed 'Trans proline' 0 C--N 1.361 1.237 0 O-C-N 124.471 1.774 . . . . 10.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -142.69 -149.49 5.15 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.453 1.095 . . . . 10.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.3 m -134.32 102.71 5.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.65 0.853 . . . . 10.0 110.471 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.727 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 50.3 m-85 -82.16 159.14 23.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 10.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.5 m -121.68 151.07 40.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 10.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 1.8 p90 -168.61 157.44 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 10.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.53 -173.83 1.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 10.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.8 92.88 4.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 10.0 108.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -70.42 -56.22 6.86 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 10.0 110.287 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.485 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -75.02 54.88 3.79 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.434 1.755 . . . . 10.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' CG ' ' HE1' ' A' ' 91' ' ' MET . 0.1 OUTLIER -140.48 136.93 33.47 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.119 . . . . 10.0 109.667 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -39.13 107.58 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 10.0 110.255 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 87' ' ' ARG . . . -37.25 96.32 0.01 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.435 1.084 . . . . 10.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 87' ' ' ARG . . . -128.68 -56.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 10.0 109.241 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 149.64 110.14 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.539 1.149 . . . . 10.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.545 ' HG2' ' CE2' ' A' ' 16' ' ' PHE . 7.1 mtm -152.03 90.66 1.55 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 10.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -116.83 124.85 73.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.102 . . . . 10.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.92 142.11 10.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.418 1.074 . . . . 10.0 111.038 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -143.22 145.44 32.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 0.772 . . . . 10.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 96' ' ' VAL . 21.3 t -98.82 165.29 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 10.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.443 ' N ' HG12 ' A' ' 95' ' ' VAL . 61.1 t -143.4 121.53 6.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 10.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.668 HG13 HG23 ' A' ' 23' ' ' ILE . 2.5 t -97.19 154.7 3.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 10.0 109.38 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 23' ' ' ILE . 16.9 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.531 1.144 . . . . 10.0 109.369 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -134.32 172.01 13.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 10.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.928 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -111.73 105.2 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 10.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 8.3 t -98.45 162.65 13.05 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.439 1.087 . . . . 10.0 110.351 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 10.5 t -145.71 161.65 11.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 10.0 109.361 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.452 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 3.5 mttm -114.38 118.33 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 10.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.842 ' CE ' HD11 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -69.28 77.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 10.0 110.904 -179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.83 -152.6 17.89 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 10.0 111.044 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 2.7 t -133.68 163.88 28.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 0.805 . . . . 10.0 110.062 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.6 -60.7 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.097 . . . . 10.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.46 -61.87 1.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 10.0 110.044 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.68 69.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 10.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.591 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -118.48 160.52 21.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 0.78 . . . . 10.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.55 -54.44 3.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.582 1.176 . . . . 10.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.8 m -46.69 121.87 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 10.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' CZ ' ' SD ' ' A' ' 91' ' ' MET . 5.1 m-85 -74.91 143.51 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 10.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -140.19 133.77 15.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 10.0 110.206 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.675 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.97 133.8 33.07 Favored 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 121.047 -2.481 . . . . 10.0 110.98 -0.051 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.418 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 28.7 p -51.39 -52.02 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 10.0 110.019 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.5 m -105.96 133.61 50.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 10.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG12 ' HG2' ' A' ' 18' ' ' PRO . 13.8 m -140.27 145.1 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 10.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.727 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.0 m -82.86 150.6 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.441 1.088 . . . . 10.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.975 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -144.15 136.97 23.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 10.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.703 ' N ' HD13 ' A' ' 23' ' ' ILE . 12.0 mmtp -78.13 145.37 35.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 109.251 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.78 99.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 10.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.07 -29.42 4.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.563 1.165 . . . . 10.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.05 -179.06 3.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 10.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -125.47 175.36 7.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 10.0 110.374 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.5 t -123.76 161.78 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 10.0 109.307 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.469 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -133.47 113.58 12.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 10.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.51 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 12.3 m-90 -101.39 99.41 9.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 10.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.9 t -90.36 134.41 29.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.423 1.077 . . . . 10.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -90.67 131.27 36.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.439 1.087 . . . . 10.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.436 HD21 ' N ' ' A' ' 9' ' ' SER . 6.3 p-10 -106.12 -51.29 3.0 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.48 1.113 . . . . 10.0 109.378 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.539 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -164.29 -174.81 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 10.0 109.366 179.897 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 3.7 mm? 67.66 69.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 10.0 109.207 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 54.9 p -95.56 150.55 37.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 10.0 109.957 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.0 Cg_endo -75.06 -171.18 9.04 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.935 0.011 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -150.45 79.04 1.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 10.0 109.588 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.433 ' ND2' HD13 ' A' ' 61' ' ' LEU . 6.4 t-20 -85.74 139.28 31.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 10.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.842 HD11 ' CE ' ' A' ' 7' ' ' MET . 2.6 mt -121.51 72.7 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 10.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 93.9 t -80.13 143.06 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 10.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.825 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -118.19 130.39 56.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.08 . . . . 10.0 111.074 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.13 153.56 19.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 10.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.96 80.57 2.75 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.541 1.151 . . . . 10.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.74 -72.97 0.67 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.555 1.16 . . . . 10.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.1 13.28 67.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.459 1.099 . . . . 10.0 111.092 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.786 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.5 t -135.48 163.32 35.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 0.768 . . . . 10.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -68.87 175.4 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.396 1.06 . . . . 10.0 109.225 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.64 -61.1 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.82 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -42.8 -55.91 3.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 10.0 109.235 -179.962 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 79' ' ' TYR . 21.2 m -54.86 -59.7 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.07 . . . . 10.0 110.408 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 10.0 109.268 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.82 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.85 -55.89 14.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 10.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.87 -28.83 69.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 10.0 109.318 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.1 OUTLIER -80.72 -25.26 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.591 1.182 . . . . 10.0 109.351 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.9 t -78.23 139.59 38.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 10.0 109.967 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.547 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.2 m-70 -108.43 99.65 9.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 109.57 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -102.43 25.78 8.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 10.0 109.237 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.87 -30.78 8.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 10.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.433 HD13 ' ND2' ' A' ' 40' ' ' ASN . 37.9 tp 63.79 122.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 0.754 . . . . 10.0 109.232 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.727 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -104.35 157.8 16.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 10.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -158.76 -47.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 10.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.64 112.57 20.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 10.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -49.55 149.29 2.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 10.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.9 -37.76 3.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.436 1.085 . . . . 10.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.29 128.4 35.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 10.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.59 133.11 37.96 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.544 1.153 . . . . 10.0 110.081 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.727 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 9.6 m-85 -90.66 178.02 6.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 10.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' VAL . 43.6 m -145.35 151.11 37.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 10.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.56 ' OG ' HD13 ' A' ' 56' ' ' LEU . 9.3 t -142.36 145.08 33.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 10.0 109.959 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.42 ' O ' HD21 ' A' ' 56' ' ' LEU . 17.7 m -115.0 123.96 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 10.0 110.307 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.745 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 4.1 m-85 -101.35 98.72 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 10.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -38.88 25.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 10.0 110.326 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.12 125.73 47.06 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 10.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.492 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -74.98 94.84 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.474 1.776 . . . . 10.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.31 -137.36 3.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.577 1.173 . . . . 10.0 110.998 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.3 m -145.2 99.77 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 10.0 110.421 -179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.786 ' CE2' HG11 ' A' ' 48' ' ' VAL . 77.4 m-85 -86.02 137.45 32.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 10.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -117.04 147.75 42.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 10.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 54.0 p90 -151.36 153.28 34.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.398 1.061 . . . . 10.0 111.077 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 4.2 p90 -145.8 155.45 42.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 10.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 0.1 OUTLIER -94.51 111.31 23.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 10.0 108.305 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -82.37 -58.11 0.46 Allowed Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.577 1.173 . . . . 10.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.522 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.99 71.01 5.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.429 1.752 . . . . 10.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.412 ' ND1' ' HB3' ' A' ' 83' ' ' CYS . 0.1 OUTLIER -124.22 167.22 14.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.379 1.049 . . . . 10.0 109.653 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -40.07 -55.07 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 10.0 110.236 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.14 65.0 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.537 1.148 . . . . 10.0 110.996 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.66 -78.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 10.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.71 132.6 3.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 10.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.524 ' SD ' ' CZ ' ' A' ' 16' ' ' PHE . 1.4 ptp -125.57 166.27 17.0 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 0.743 . . . . 10.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.67 176.95 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 10.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.46 125.72 2.28 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.445 1.091 . . . . 10.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -145.28 167.35 23.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 0.78 . . . . 10.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.66 153.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 10.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 48.8 t -135.74 119.46 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 10.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.975 HG22 ' CG2' ' A' ' 23' ' ' ILE . 3.4 t -106.63 138.23 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 10.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -79.41 148.5 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 10.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 21' ' ' VAL . . . -137.12 138.02 39.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 10.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.39 155.45 43.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.065 . . . . 10.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.869 HG12 ' H ' ' A' ' 7' ' ' MET . 96.2 t -138.56 140.94 38.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 10.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.474 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -87.58 15.43 6.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 10.0 109.355 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.869 ' H ' HG12 ' A' ' 5' ' ' VAL . 23.7 mtt 64.72 -70.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 10.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -96.44 -130.94 6.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 10.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.94 164.18 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 0.753 . . . . 10.0 109.973 -179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -51.6 69.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 10.0 109.396 179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 m -54.39 -58.52 7.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.976 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.29 92.27 0.78 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 10.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' HD11 ' A' ' 36' ' ' LEU . . . -157.02 153.87 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 0.796 . . . . 10.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.076 HD22 ' HB3' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -75.53 56.59 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.476 1.11 . . . . 10.0 109.309 179.925 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 7' ' ' MET . 15.9 m -116.38 179.22 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.649 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -146.2 115.95 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 10.0 111.025 -179.926 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 4.6 mt-10 -145.34 135.55 11.9 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 10.0 110.325 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.735 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.97 137.44 50.35 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.982 -2.507 . . . . 10.0 110.96 -0.007 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 96.3 p -53.44 -38.43 63.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 10.0 110.073 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 m -123.79 135.88 54.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 10.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.839 ' HB ' ' HB1' ' A' ' 3' ' ' ALA . 25.4 m -128.43 149.32 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 10.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -96.4 137.21 35.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 10.0 110.381 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.875 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -142.25 156.6 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 10.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.784 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -106.75 157.42 17.74 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.079 . . . . 10.0 109.282 -179.874 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 82.68 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 10.0 109.306 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.6 -29.88 0.94 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.113 . . . . 10.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -178.16 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 10.0 110.256 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -139.78 169.79 17.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.675 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 14.0 t -115.91 161.78 14.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 10.0 109.316 179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.451 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -131.58 120.54 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 10.0 109.258 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.736 ' HB3' ' HE2' ' A' ' 7' ' ' MET . 20.5 m-90 -110.88 98.54 7.64 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.118 . . . . 10.0 108.053 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG23 ' OG ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -82.68 139.61 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 10.0 109.368 179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 62' ' ' ALA . 24.0 m-20 -78.4 100.69 6.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 10.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -81.08 -66.73 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 10.0 109.358 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.98 -156.25 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 10.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.438 HD11 ' N ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER 57.77 70.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 10.0 109.318 -179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.563 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -117.83 163.12 25.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 10.0 110.114 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.563 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -75.06 167.99 78.79 Favored 'Cis proline' 0 C--N 1.359 1.102 0 C-N-CA 120.925 -2.531 . . . . 10.0 110.999 0.036 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -178.63 140.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 10.0 109.59 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.486 ' HB3' ' CA ' ' A' ' 60' ' ' GLY . 0.4 OUTLIER -127.67 176.19 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 10.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.619 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.4 mt -129.51 75.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 10.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 18.2 t -80.28 135.47 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 10.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.619 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.2 m-85 -106.85 143.41 34.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 10.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.26 142.82 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.168 . . . . 10.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.38 79.16 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 10.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -102.28 101.35 11.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 10.0 109.255 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.42 -28.45 7.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.503 1.127 . . . . 10.0 110.985 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.547 HG11 ' OH ' ' A' ' 79' ' ' TYR . 2.1 t -88.4 170.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.522 0.777 . . . . 10.0 109.244 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -75.68 147.35 39.49 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 1.162 . . . . 10.0 109.36 179.916 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' ASP . . . -65.82 -59.02 4.29 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.526 1.141 . . . . 10.0 109.299 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.775 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.6 m-20 -39.83 -63.02 0.63 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 10.0 109.351 -179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 m -47.99 -56.74 6.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 10.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -55.95 -23.86 34.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 10.0 109.257 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.43 -34.28 74.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.419 1.074 . . . . 10.0 109.254 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.86 -10.18 58.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 10.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.117 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 7.2 mt -110.69 -6.36 14.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 10.0 109.266 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 53' ' ' ALA . 47.5 t -94.07 113.91 25.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.396 1.06 . . . . 10.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -88.69 105.43 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 10.0 109.632 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.46 -41.03 75.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 10.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.486 ' CA ' ' HB3' ' A' ' 40' ' ' ASN . . . 147.92 -143.1 10.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 10.0 110.972 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.45 HD23 ' HE1' ' A' ' 63' ' ' PHE . 0.4 OUTLIER 82.87 30.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 10.0 109.272 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -117.72 115.51 25.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 10.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.45 ' HE1' HD23 ' A' ' 61' ' ' LEU . 26.3 p90 -164.02 -41.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 10.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.75 104.94 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 10.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -46.58 112.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 10.0 109.38 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.52 -51.75 0.52 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 10.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' O ' ' ND2' ' A' ' 33' ' ' ASN . 48.2 mt-10 -74.87 105.71 6.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 0.79 . . . . 10.0 110.215 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.719 ' OG ' HG23 ' A' ' 32' ' ' VAL . 4.6 m -108.12 143.0 37.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 10.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.639 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 15.7 m-85 -97.71 169.3 9.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 10.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.9 m -145.52 146.59 31.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 10.0 110.425 179.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.962 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.8 p -145.57 126.63 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 10.0 109.954 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.8 m -105.34 135.44 46.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.317 1.01 . . . . 10.0 110.405 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.117 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 53.9 m-85 -113.64 99.55 7.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 1.113 . . . . 10.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -88.31 -4.21 58.72 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 10.0 110.329 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 17.8 tp10 -117.81 135.16 23.25 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 10.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.1 Cg_endo -75.08 136.19 19.92 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 10.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.71 -176.55 35.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.423 1.077 . . . . 10.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 95' ' ' VAL . 4.4 m -117.32 128.65 55.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 0.778 . . . . 10.0 110.461 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' ' CD1' ' A' ' 73' ' ' PHE . 80.2 m-85 -109.93 162.79 14.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 10.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.5 m -145.39 144.29 30.58 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.408 1.068 . . . . 10.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.518 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 37.5 p90 -135.62 134.31 39.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 10.0 110.99 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -118.49 132.12 56.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 10.0 111.069 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.599 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 7.2 t -103.08 85.48 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.602 1.189 . . . . 10.0 108.278 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.501 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.6 mm-40 -81.2 -57.25 0.57 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 10.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.02 76.51 3.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 10.0 111.031 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.794 ' NE2' HD21 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -167.94 56.12 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 10.0 109.649 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 83.72 -60.23 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.079 . . . . 10.0 110.341 -179.943 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 102.66 123.01 5.19 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.427 1.08 . . . . 10.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.076 ' HB3' HD22 ' A' ' 14' ' ' LEU . . . -165.76 -44.22 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 0.744 . . . . 10.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 135.74 78.34 0.09 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 10.0 110.995 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.445 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 2.5 ttt -126.21 124.1 39.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.75 . . . . 10.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.649 HG22 ' CZ ' ' A' ' 16' ' ' PHE . 11.5 m -141.26 -153.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 10.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . 149.41 148.0 4.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 10.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' TYR . 3.6 pttt -137.12 144.97 43.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 10.0 109.332 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 21' ' ' VAL . 3.4 t -114.04 157.37 14.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 10.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.614 ' O ' HG22 ' A' ' 23' ' ' ILE . 88.3 t -128.97 126.02 63.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 10.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.875 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -117.09 120.96 66.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 10.0 109.282 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 10.0 109.294 -179.984 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.282 -0.636 . . . . 10.0 109.282 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.19 179.1 7.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 10.0 109.362 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.519 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.03 104.26 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.568 1.168 . . . . 10.0 109.291 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -116.65 153.8 31.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 10.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.501 ' CG2' HG21 ' A' ' 21' ' ' VAL . 94.2 t -143.53 102.09 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 10.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE3' ' ND2' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -59.28 145.49 42.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 10.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.412 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 9.3 mtt -81.21 77.15 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 10.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.71 -135.38 9.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.123 . . . . 10.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.849 ' OG ' ' HB3' ' A' ' 13' ' ' ALA . 5.7 m -145.27 151.2 37.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 0.8 . . . . 10.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.37 -51.2 56.69 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 10.0 109.25 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.56 -62.35 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 10.0 109.96 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.4 69.48 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.484 1.115 . . . . 10.0 110.986 -179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB3' ' OG ' ' A' ' 9' ' ' SER . . . -121.09 143.97 48.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.769 . . . . 10.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.894 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.97 7.51 20.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.55 1.156 . . . . 10.0 109.249 -179.956 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG22 ' HB1' ' A' ' 13' ' ' ALA . 28.7 m -93.35 139.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 10.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' CE1' ' HE2' ' A' ' 91' ' ' MET . 14.2 m-85 -79.22 108.11 12.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 10.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.6 tt0 -117.84 132.09 23.82 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 10.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.704 ' HG2' HG13 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 168.42 77.48 Favored 'Cis proline' 0 C--N 1.361 1.208 0 C-N-CA 120.963 -2.516 . . . . 10.0 110.977 0.028 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.9 p -84.95 -33.47 22.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 10.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 m -127.3 132.75 50.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 10.0 110.407 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.704 HG13 ' HG2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -135.35 140.21 45.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 10.0 109.21 -179.905 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.33 127.04 37.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 10.0 110.436 179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.915 ' CG2' HG22 ' A' ' 97' ' ' VAL . 4.6 tt -127.91 156.56 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -99.81 165.56 11.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 10.0 109.297 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.01 79.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 10.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.58 -21.06 0.92 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.417 1.073 . . . . 10.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 4.8 mm-40 -74.64 168.87 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 0.723 . . . . 10.0 110.269 -179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.78 ' CG ' HG23 ' A' ' 72' ' ' THR . 2.7 mt-10 -121.77 158.01 29.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 10.0 110.34 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD12 ' A' ' 23' ' ' ILE . 8.5 t -112.89 160.0 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.395 1.06 . . . . 10.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 3.9 ttpt -139.77 112.6 8.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 10.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.694 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 18.4 m-90 -100.31 99.74 10.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 10.0 108.048 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.4 p -90.68 132.58 34.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.437 1.085 . . . . 10.0 109.274 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -79.82 101.31 8.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 10.0 109.265 -179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 9' ' ' SER . 31.4 t30 -74.44 -41.01 61.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.592 1.182 . . . . 10.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt 172.51 -163.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 10.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 36' ' ' LEU . 4.2 mm? 66.23 59.5 0.66 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 10.0 109.213 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -87.07 151.25 51.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.412 1.07 . . . . 10.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.93 -166.54 4.94 Favored 'Cis proline' 0 C--N 1.361 1.184 0 C-N-CA 121.025 -2.49 . . . . 10.0 111.024 -0.065 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.2 OUTLIER -157.67 155.78 30.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 10.0 109.579 -179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 39' ' ' HIS . 11.6 m-80 -158.32 137.32 11.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.396 1.06 . . . . 10.0 109.388 179.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.696 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -119.21 71.51 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 10.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.7 t -82.86 133.74 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 10.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.696 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.2 m-85 -108.38 131.85 54.34 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.117 . . . . 10.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.86 148.77 21.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 50' ' ' ALA . . . -106.08 80.78 1.55 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 10.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.1 -68.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 10.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.29 16.54 60.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.09 . . . . 10.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.835 HG11 ' CE2' ' A' ' 79' ' ' TYR . 16.5 t -139.08 169.88 16.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.549 0.793 . . . . 10.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.505 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -67.12 155.79 37.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 10.0 109.24 -179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . . . -80.69 -50.61 9.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 10.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.562 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -48.31 -64.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 10.0 109.321 179.947 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 56' ' ' LEU . 12.2 m -51.34 -41.06 60.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 10.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -67.39 -23.63 65.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 10.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -72.19 -26.8 62.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 10.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -14.41 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 10.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.168 HD22 ' CZ ' ' A' ' 73' ' ' PHE . 6.2 mt -106.58 -9.56 16.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 10.0 109.311 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' ALA . 15.8 t -89.94 114.97 26.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 10.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 20.2 m-70 -89.99 103.29 15.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 10.0 109.522 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.2 35.62 2.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -99.78 -142.55 13.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 10.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -164.37 119.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 0.791 . . . . 10.0 109.328 179.901 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -118.78 128.12 54.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 10.0 109.369 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.411 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 22.9 p90 -141.81 -46.58 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 10.0 111.026 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 65' ' ' ALA . . . -74.79 111.82 10.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 10.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 64' ' ' ALA . . . -40.4 138.73 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 10.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.54 -28.5 11.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 10.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.27 111.76 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 10.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.4 p -135.9 162.49 32.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 10.0 109.99 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.454 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 26.5 m-85 -123.72 173.21 8.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.39 1.056 . . . . 10.0 111.003 179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 29' ' ' VAL . 45.0 m -137.31 149.47 47.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 10.0 110.369 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.877 ' HB2' HD23 ' A' ' 56' ' ' LEU . 7.6 p -145.92 126.67 14.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 10.0 109.982 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.78 HG23 ' CG ' ' A' ' 28' ' ' GLU . 1.3 m -100.65 147.91 25.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.068 . . . . 10.0 110.418 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 1.168 ' CZ ' HD22 ' A' ' 56' ' ' LEU . 58.7 m-85 -129.88 99.19 5.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.19 . . . . 10.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -13.26 51.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 10.0 110.365 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.26 140.0 26.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.102 . . . . 10.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 147.65 34.71 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.769 . . . . 10.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.19 172.36 25.25 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.577 1.173 . . . . 10.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.5 m -110.03 107.56 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 10.0 110.357 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.835 ' CE2' HG11 ' A' ' 48' ' ' VAL . 93.5 m-85 -93.82 154.3 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 10.0 111.021 179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.644 HG23 ' HG2' ' A' ' 94' ' ' LYS . 96.6 m -131.25 154.19 48.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 10.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 52.8 p90 -150.48 143.27 24.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.405 1.066 . . . . 10.0 110.967 -179.912 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -123.42 -176.8 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 10.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 0.0 OUTLIER -128.8 129.02 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 10.0 108.316 -179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -77.57 -52.55 1.69 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 10.0 110.364 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.6 Cg_endo -74.93 60.92 5.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.467 1.772 . . . . 10.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -158.27 109.31 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.422 1.077 . . . . 10.0 109.578 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -40.11 -47.79 2.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.079 . . . . 10.0 110.308 179.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 124.12 70.95 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.084 . . . . 10.0 110.993 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -91.33 -19.79 22.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 0.75 . . . . 10.0 109.356 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.91 59.39 0.07 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.133 . . . . 10.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.572 ' HE2' ' CE1' ' A' ' 16' ' ' PHE . 4.0 ttt -126.17 123.89 39.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.605 0.827 . . . . 10.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.6 t -149.54 -81.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 10.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.591 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 70.89 125.88 0.06 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 10.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.644 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -125.35 146.49 49.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.555 0.797 . . . . 10.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 96' ' ' VAL . 35.8 t -100.87 165.05 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 10.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.46 ' N ' HG12 ' A' ' 95' ' ' VAL . 47.1 t -144.38 112.52 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 10.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.915 HG22 ' CG2' ' A' ' 23' ' ' ILE . 44.1 t -93.72 135.73 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 10.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 10.0 109.29 179.984 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.1 178.07 7.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 10.0 109.237 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.774 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -144.86 105.9 4.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 1.161 . . . . 10.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -116.88 148.25 41.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 10.0 110.367 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.6 t -139.72 117.07 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 10.0 109.344 179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.1 OUTLIER -69.92 86.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 10.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.786 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.0 OUTLIER -60.47 83.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.138 . . . . 10.0 110.966 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . 130.1 112.14 1.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 10.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.621 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 52.6 m -75.34 139.99 42.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.42 0.718 . . . . 10.0 110.0 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.83 -43.18 94.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 10.0 109.255 -179.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.29 -32.18 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 10.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.26 46.82 0.62 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 10.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -106.71 141.46 37.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 10.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.86 HD12 ' CD2' ' A' ' 86' ' ' HIS . 4.4 mm? -75.17 -28.82 60.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 10.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 20.5 m -76.48 168.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 10.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 0.2 OUTLIER -118.85 155.9 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 1.168 . . . . 10.0 110.999 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -145.66 129.11 8.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 10.0 110.349 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.11 157.62 99.39 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 120.938 -2.526 . . . . 10.0 110.925 0.101 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.9 p -74.62 -32.88 62.46 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.457 1.098 . . . . 10.0 109.972 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.6 m -127.34 140.87 51.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 10.0 110.478 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 14.4 m -137.6 138.99 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 10.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.75 128.18 33.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 10.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.485 HG13 HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -123.07 172.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' C ' HG13 ' A' ' 97' ' ' VAL . 1.7 mttt -112.9 162.21 16.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 10.0 109.208 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 74' ' ' THR . . . -80.89 76.9 7.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 10.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.95 -18.74 1.41 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.536 1.147 . . . . 10.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE2' ' CB ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -74.99 176.96 6.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 0.777 . . . . 10.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 72' ' ' THR . 2.2 mt-10 -124.59 165.1 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.382 1.051 . . . . 10.0 110.372 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.774 HG22 ' HB3' ' A' ' 3' ' ' ALA . 2.5 t -127.52 146.08 33.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 O-C-N 124.533 1.146 . . . . 10.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 120.69 32.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.539 1.149 . . . . 10.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.608 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.9 m-90 -106.31 99.8 9.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.03 130.79 35.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 10.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -84.59 101.54 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 10.0 109.326 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -80.55 -67.98 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 10.0 109.231 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.556 ' HB3' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -157.03 -162.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 10.0 109.375 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 35' ' ' LYS . 2.7 mm? 68.04 70.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 10.0 109.239 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 3.2 m -126.26 157.9 68.53 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 10.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.05 167.97 78.85 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.991 -2.504 . . . . 10.0 110.958 0.071 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' CB ' ' NE2' ' A' ' 86' ' ' HIS . 0.3 OUTLIER -178.79 155.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.421 1.076 . . . . 10.0 109.532 179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.582 HD22 HD12 ' A' ' 61' ' ' LEU . 29.3 p30 -140.33 172.49 12.66 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.415 1.072 . . . . 10.0 109.25 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.786 HD11 ' SD ' ' A' ' 7' ' ' MET . 3.4 mt -126.22 79.13 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 10.0 109.381 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 45.9 t -80.11 132.84 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 10.0 109.307 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 5.1 m-85 -105.0 125.18 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.078 . . . . 10.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.63 154.89 33.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 10.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -112.85 76.75 1.0 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.152 . . . . 10.0 109.211 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.56 -78.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 10.0 109.354 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.11 5.7 75.19 Favored Glycine 0 CA--C 1.532 1.111 0 O-C-N 124.42 1.075 . . . . 10.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.0 165.61 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.587 0.816 . . . . 10.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.8 160.04 31.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 10.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.14 -59.93 2.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 10.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -44.02 -64.72 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 10.0 109.359 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -47.76 -53.2 16.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 10.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -56.05 -28.4 57.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 10.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -62.55 -52.82 61.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 10.0 109.191 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.94 99.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 10.0 109.294 -179.896 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.725 ' CD2' ' CE1' ' A' ' 73' ' ' PHE . 0.3 OUTLIER -77.33 -4.97 47.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 10.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.8 t -93.98 114.74 26.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 10.0 110.002 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.457 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 9.9 m-70 -88.45 102.23 14.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 10.0 109.587 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -124.59 40.29 3.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 10.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.87 -27.58 7.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.56 1.163 . . . . 10.0 110.976 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.582 HD12 HD22 ' A' ' 40' ' ' ASN . 0.2 OUTLIER 73.84 109.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 10.0 109.257 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . . . -105.97 158.29 16.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.527 1.142 . . . . 10.0 109.252 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -155.87 -43.82 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 10.0 111.042 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.64 114.05 20.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 10.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -48.76 167.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 10.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.2 -39.32 3.13 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.468 1.105 . . . . 10.0 111.053 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.77 101.79 5.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 0.733 . . . . 10.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.57 128.86 55.79 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.421 1.075 . . . . 10.0 110.037 -179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 62' ' ' ALA . 38.8 m-85 -82.53 173.64 11.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 10.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 31.6 m -140.93 158.58 43.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 10.0 110.419 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.3 p -145.92 173.31 12.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.559 1.162 . . . . 10.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.534 HG23 ' HG3' ' A' ' 28' ' ' GLU . 8.2 m -146.23 122.14 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.157 . . . . 10.0 110.377 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.0 m-85 -101.77 98.71 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 10.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.444 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.8 OUTLIER -83.41 -58.89 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.615 1.197 . . . . 10.0 110.404 -179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -69.43 131.14 90.24 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.08 . . . . 10.0 110.344 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.2 Cg_endo -75.03 85.41 1.53 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.429 1.752 . . . . 10.0 110.959 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -139.99 -147.8 5.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.434 1.084 . . . . 10.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 95' ' ' VAL . 12.9 m -142.28 116.25 9.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 0.754 . . . . 10.0 110.476 179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.804 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 14.7 m-85 -92.09 158.98 15.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 10.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 69.8 m -142.89 151.08 40.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 10.0 110.415 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.547 ' CZ ' ' C ' ' A' ' 93' ' ' GLY . 9.1 p90 -148.33 179.53 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 10.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 12.7 p90 -153.78 -177.11 6.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 10.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.462 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 1.6 t -149.85 106.89 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 10.0 108.315 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 2.4 mt-10 -74.7 -55.85 2.43 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 10.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.08 70.76 5.27 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.515 1.797 . . . . 10.0 110.931 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 1.043 ' ND1' ' SD ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -146.24 47.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 10.0 109.559 179.933 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 40.31 43.68 1.48 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 10.0 110.217 179.922 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 76.24 0.14 Allowed Glycine 0 CA--C 1.531 1.091 0 O-C-N 124.496 1.123 . . . . 10.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.58 -33.25 6.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 0.802 . . . . 10.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 91' ' ' MET . . . 102.05 -76.52 0.34 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.563 1.164 . . . . 10.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.043 ' SD ' ' ND1' ' A' ' 86' ' ' HIS . 13.1 ptm 36.11 89.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 0.784 . . . . 10.0 110.946 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 53.8 t -71.82 -65.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.517 1.136 . . . . 10.0 109.237 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 16' ' ' PHE . . . 60.42 127.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.493 1.121 . . . . 10.0 111.024 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.71 168.86 19.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 0.723 . . . . 10.0 109.277 -179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 78' ' ' THR . 6.8 t -129.59 159.41 41.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.425 1.078 . . . . 10.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.7 t -138.0 136.71 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.38 1.05 . . . . 10.0 109.269 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.489 HG13 ' C ' ' A' ' 24' ' ' LYS . 2.8 t -106.92 117.25 52.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 10.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 10.0 109.285 179.981 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.76 -177.97 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 10.0 109.317 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.648 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -117.12 102.71 9.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 10.0 109.261 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 t -108.75 159.69 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 10.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.424 HG22 ' HD2' ' A' ' 18' ' ' PRO . 56.1 t -144.72 114.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 10.0 109.32 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -58.65 103.82 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 10.0 109.222 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.827 ' SD ' HD11 ' A' ' 41' ' ' ILE . 1.9 mtm -57.71 89.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 10.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.495 ' CA ' ' HA ' ' A' ' 13' ' ' ALA . . . 96.24 144.65 17.44 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.155 . . . . 10.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' N ' ' HA ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -75.93 154.85 35.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 10.0 110.011 -179.978 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.0 -27.88 3.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 10.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.4 m -51.79 -95.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 10.0 109.899 -179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.896 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -112.67 -20.5 6.47 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.557 1.16 . . . . 10.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.733 ' HB3' ' HB2' ' A' ' 36' ' ' LEU . . . 73.49 85.07 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 0.79 . . . . 10.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' A' ' 91' ' ' MET . 9.7 tp -125.66 -58.74 1.4 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.528 1.142 . . . . 10.0 109.247 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' OE1' ' A' ' 17' ' ' GLU . 3.2 m -91.86 156.05 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 10.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 7' ' ' MET . 22.5 m-85 -93.11 119.64 32.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.115 . . . . 10.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -131.66 135.77 27.39 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 10.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -74.94 133.1 29.87 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.007 -2.497 . . . . 10.0 111.04 -0.062 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.444 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 1.6 p -50.9 -53.76 29.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 10.0 110.064 179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.22 136.52 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 10.0 110.476 179.919 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG12 ' HG2' ' A' ' 18' ' ' PRO . 35.9 m -145.08 138.24 21.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 10.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -96.19 123.29 39.76 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 10.0 110.455 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.507 HD13 ' CG ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -124.55 162.18 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 10.0 109.295 -179.954 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' N ' ' CG1' ' A' ' 23' ' ' ILE . 3.3 mmtt -82.14 159.71 23.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 10.0 109.217 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.37 66.74 8.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 10.0 109.348 179.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 172.19 -31.73 0.12 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.431 1.082 . . . . 10.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' O ' HD11 ' A' ' 23' ' ' ILE . 41.9 mt-10 -73.81 170.11 15.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 0.801 . . . . 10.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -115.54 174.52 5.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 10.0 110.239 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.648 HG22 ' O ' ' A' ' 3' ' ' ALA . 3.0 t -122.35 138.65 51.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 10.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -113.89 116.02 28.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 10.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.64 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 10.5 m-90 -100.19 99.82 10.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 10.0 107.987 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.2 t -95.37 129.59 45.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 10.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -88.08 129.62 35.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 10.0 109.235 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 8' ' ' GLY . 22.2 p-10 -96.82 -49.3 5.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 109.357 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -162.13 -175.8 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.896 HD23 ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 64.95 70.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 10.0 109.243 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.495 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -99.85 153.84 37.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 10.0 109.956 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -74.94 -167.96 6.06 Favored 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.135 -2.444 . . . . 10.0 110.945 0.027 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 1.1 m-70 -150.05 108.47 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 10.0 109.646 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -100.98 142.94 31.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.418 1.074 . . . . 10.0 109.371 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.827 HD11 ' SD ' ' A' ' 7' ' ' MET . 9.5 mt -131.97 62.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.607 1.192 . . . . 10.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.95 130.88 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 10.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.9 m-85 -100.57 156.2 17.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 10.0 111.043 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.933 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -120.68 156.11 32.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.401 1.063 . . . . 10.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.6 65.78 7.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 10.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -88.61 76.86 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 10.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.58 -23.83 34.62 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 10.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.75 HG13 ' OE1' ' A' ' 75' ' ' GLU . 4.6 t -90.67 173.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 0.788 . . . . 10.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.584 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -73.08 163.36 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 10.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.91 -53.66 9.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 10.0 109.297 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.783 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -56.11 -51.32 68.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 10.0 109.192 -179.861 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 m -52.2 -53.01 48.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 10.0 110.432 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -58.3 -18.55 27.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 10.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -73.29 -41.5 63.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.137 . . . . 10.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -36.2 65.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.082 . . . . 10.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.666 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.9 OUTLIER -84.71 -4.09 58.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 10.0 109.329 -179.968 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -86.57 127.38 34.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 10.0 109.971 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.49 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 10.9 m170 -97.78 101.24 12.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 10.0 109.567 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -110.43 22.27 15.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 10.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.5 -44.8 5.44 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.626 1.204 . . . . 10.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 74.24 118.97 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 0.751 . . . . 10.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 38' ' ' PRO . . . -95.08 131.5 40.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 10.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.474 ' O ' ' CB ' ' A' ' 37' ' ' SER . 77.2 m-85 -104.06 -43.08 5.36 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.541 1.151 . . . . 10.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.18 141.43 30.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 10.0 109.228 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.79 56.87 2.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.097 . . . . 10.0 109.366 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -143.44 -42.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.526 1.141 . . . . 10.0 111.032 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -74.37 138.14 43.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 0.737 . . . . 10.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.34 128.41 37.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 10.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 49.1 m-85 -76.98 175.91 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 10.0 111.036 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.6 m -145.35 144.31 30.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 10.0 110.436 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.513 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 9.3 p -145.52 126.36 14.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 10.0 110.015 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 86.7 m -83.73 137.11 33.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 10.0 110.378 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.895 ' CD2' HG22 ' A' ' 97' ' ' VAL . 2.9 m-85 -110.54 97.65 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 10.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.04 -40.89 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 10.0 110.467 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.75 ' OE1' HG13 ' A' ' 48' ' ' VAL . 15.0 tt0 -77.82 117.69 67.39 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 10.0 110.273 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.0 Cg_endo -75.11 86.24 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.589 1.836 . . . . 10.0 110.94 -179.918 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.86 -137.86 2.98 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.502 1.126 . . . . 10.0 111.042 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.574 HG23 HG22 ' A' ' 96' ' ' VAL . 20.1 m -145.13 126.97 15.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.575 0.809 . . . . 10.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.666 ' CE2' HD13 ' A' ' 56' ' ' LEU . 55.2 m-85 -109.21 156.82 19.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 10.0 110.96 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 m -143.78 147.03 33.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 10.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -141.78 178.86 7.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 10.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.933 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -146.51 -168.69 3.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.428 1.08 . . . . 10.0 110.967 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.51 88.49 1.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.611 1.194 . . . . 10.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.2 OUTLIER -76.49 -56.77 1.41 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 10.0 110.232 -179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.04 55.29 3.92 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.481 1.78 . . . . 10.0 110.961 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.485 ' NE2' HD12 ' A' ' 36' ' ' LEU . 7.1 t60 -133.84 -49.02 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 10.0 109.603 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 158.43 157.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.609 1.193 . . . . 10.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -80.4 52.63 4.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.446 1.091 . . . . 10.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -110.64 -39.83 4.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 0.798 . . . . 10.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 111.77 164.07 17.44 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.488 1.118 . . . . 10.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.527 ' HE2' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -165.97 126.07 1.72 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 0.745 . . . . 10.0 110.971 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' N ' ' A' ' 93' ' ' GLY . 23.8 t -114.73 170.1 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.534 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 132.96 133.05 3.35 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.54 1.15 . . . . 10.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.85 155.82 43.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 10.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG13 HG23 ' A' ' 21' ' ' VAL . 2.4 t -105.09 155.5 6.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 10.0 109.3 -179.908 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 78' ' ' THR . 40.6 t -142.07 118.69 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 10.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.895 HG22 ' CD2' ' A' ' 73' ' ' PHE . 2.1 t -79.39 170.97 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 10.0 109.382 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.468 ' H ' HG12 ' A' ' 97' ' ' VAL . 22.5 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 10.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.403 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.294 -0.632 . . . . 10.0 109.294 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -81.0 146.92 30.44 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 10.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -86.93 147.83 25.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 10.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.8 t -147.01 158.77 44.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 10.0 110.366 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.49 ' HB ' ' CD1' ' A' ' 31' ' ' TRP . 77.2 t -145.28 134.92 18.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.471 1.107 . . . . 10.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -85.5 49.79 1.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.58 1.175 . . . . 10.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.659 ' CE ' HD11 ' A' ' 41' ' ' ILE . 34.1 mtt 35.13 -95.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.554 1.159 . . . . 10.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 6' ' ' LYS . . . -68.84 -145.32 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.361 1.038 . . . . 10.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.659 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 6.2 m -137.56 152.21 49.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.591 0.818 . . . . 10.0 110.01 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -72.85 -29.46 63.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.101 . . . . 10.0 109.295 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.9 t -86.66 46.23 1.34 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 10.0 110.067 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.59 54.76 2.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.53 1.144 . . . . 10.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -124.14 149.89 45.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 0.784 . . . . 10.0 109.247 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 86' ' ' HIS . 5.0 mp -82.34 -49.63 9.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 10.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.495 HG12 HG22 ' A' ' 92' ' ' VAL . 23.9 m -39.86 142.4 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 10.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 61.7 m-85 -75.0 135.01 41.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 10.0 111.098 179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 1.0 OUTLIER -137.76 120.3 11.13 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 10.0 110.269 -179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.5 Cg_endo -75.03 140.96 70.23 Favored 'Cis proline' 0 C--N 1.359 1.089 0 C-N-CA 121.009 -2.496 . . . . 10.0 110.991 -0.028 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 p -58.97 -49.21 78.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 10.0 110.008 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.7 m -108.38 142.54 38.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 10.0 110.361 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.595 HG23 HG13 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -144.29 138.33 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 10.0 109.285 -179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -89.92 138.66 31.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 10.0 110.436 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.922 HD12 HG23 ' A' ' 29' ' ' VAL . 8.6 tt -142.88 160.14 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 10.0 109.25 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' N ' HG12 ' A' ' 23' ' ' ILE . 0.8 OUTLIER -95.77 166.11 11.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 10.0 109.215 -179.939 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.52 83.77 6.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 10.0 109.221 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 146.16 -18.72 1.74 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 10.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.403 ' OE1' ' O ' ' A' ' 1' ' ' ALA . 5.8 mt-10 -74.69 -178.9 3.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.611 0.83 . . . . 10.0 110.272 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.4 pm0 -126.41 170.08 12.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 10.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.922 HG23 HD12 ' A' ' 23' ' ' ILE . 7.2 t -130.26 135.85 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.411 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.4 tmmt? -111.96 127.57 55.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 10.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.839 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.6 m-90 -115.88 100.04 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 10.0 108.017 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.3 p -89.92 145.58 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 10.0 109.198 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -75.19 134.1 41.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.51 1.131 . . . . 10.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 9' ' ' SER . 4.7 t-20 -115.67 -64.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 10.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.25 -149.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 10.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.5 mm? 50.19 69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 10.0 109.367 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.614 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -118.05 165.73 15.47 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 10.0 109.968 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.614 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.95 168.7 76.62 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.018 -2.493 . . . . 10.0 110.979 -0.066 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER 179.21 -177.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 10.0 109.571 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 1.006 ' OD1' HG23 ' A' ' 42' ' ' VAL . 20.9 p30 -173.2 -177.06 1.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 10.0 109.24 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 ' CE ' ' A' ' 7' ' ' MET . 0.4 OUTLIER -126.87 77.46 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.617 1.198 . . . . 10.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.006 HG23 ' OD1' ' A' ' 40' ' ' ASN . 89.4 t -86.19 128.89 39.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 10.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 3.1 m-85 -105.11 135.2 46.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.143 . . . . 10.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.52 166.89 10.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 10.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.57 73.27 3.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.407 1.067 . . . . 10.0 109.266 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -103.33 88.72 3.18 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.501 1.125 . . . . 10.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.23 -32.42 6.46 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.486 1.116 . . . . 10.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.581 HG11 ' CE2' ' A' ' 79' ' ' TYR . 8.5 t -88.0 168.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 10.0 109.348 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.5 m-20 -66.16 162.98 18.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 10.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.73 -61.44 1.78 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.487 1.117 . . . . 10.0 109.366 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.758 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -49.26 -47.0 46.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 10.0 109.272 179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -53.73 -66.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 10.0 110.435 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.16 -25.61 5.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 10.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -65.36 -51.45 60.39 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 10.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -47.61 82.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 10.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD22 ' CE2' ' A' ' 79' ' ' TYR . 6.4 mp -68.55 -17.38 64.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.594 1.183 . . . . 10.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.4 t -82.34 132.88 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 10.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 17.6 m-70 -107.32 100.22 9.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 10.0 109.548 -179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -106.5 28.59 7.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 10.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.04 -31.59 5.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 10.0 110.975 -179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.77 141.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 10.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' C ' ' CD1' ' A' ' 63' ' ' PHE . . . -124.39 167.84 13.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.408 1.068 . . . . 10.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 62' ' ' ALA . 28.4 m-85 -160.68 -51.06 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.166 . . . . 10.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.866 ' HB3' ' OE1' ' A' ' 67' ' ' GLU . . . -75.35 130.17 38.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 10.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.05 95.31 0.71 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.511 1.132 . . . . 10.0 109.247 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 163.34 -40.47 0.33 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.557 1.161 . . . . 10.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.866 ' OE1' ' HB3' ' A' ' 64' ' ' ALA . 4.6 mp0 -74.86 100.71 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 10.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.1 p -110.02 155.75 21.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.527 1.142 . . . . 10.0 109.943 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 15.4 m-85 -112.64 172.83 6.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 10.0 111.037 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.3 m -145.04 148.14 33.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.461 1.101 . . . . 10.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.503 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 17.6 p -145.14 143.46 30.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 10.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 91.6 m -100.61 130.29 46.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 10.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.955 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -101.9 98.46 8.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 10.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 m -94.8 -48.23 6.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 10.0 110.358 -179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.08 118.78 70.15 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.577 1.173 . . . . 10.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.421 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 17.9 Cg_endo -75.04 67.22 6.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.56 1.821 . . . . 10.0 110.957 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.79 -145.98 5.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.456 1.098 . . . . 10.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 95' ' ' VAL . 5.7 m -134.0 127.33 32.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 10.0 110.461 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.672 ' CE2' HD22 ' A' ' 56' ' ' LEU . 66.5 m-85 -107.93 153.77 22.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 10.0 111.002 -179.909 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 m -135.72 139.67 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 -179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.454 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 7.5 p90 -141.68 170.34 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 10.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -177.68 160.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 10.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 1.079 ' SG ' ' SD ' ' A' ' 91' ' ' MET . 0.5 OUTLIER -122.4 158.79 28.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 10.0 108.334 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.28 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 10.0 110.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' HIS . 18.2 Cg_endo -75.0 59.84 5.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.469 1.773 . . . . 10.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -38.62 -88.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 10.0 109.559 -179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.81 -68.8 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 10.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.4 ' H ' HD22 ' A' ' 14' ' ' LEU . . . -52.7 -102.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.537 1.148 . . . . 10.0 111.034 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.76 -57.03 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.449 0.735 . . . . 10.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.27 -132.4 4.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 10.0 110.984 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 1.079 ' SD ' ' SG ' ' A' ' 83' ' ' CYS . 2.9 ttt 176.37 90.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 10.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.495 HG22 HG12 ' A' ' 15' ' ' VAL . 4.0 m -67.29 136.36 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 10.0 109.279 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.86 121.86 1.17 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.547 1.155 . . . . 10.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -136.75 176.55 8.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 0.73 . . . . 10.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.595 HG13 HG23 ' A' ' 21' ' ' VAL . 1.5 t -126.65 153.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 10.0 109.231 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.2 t -134.02 113.52 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 10.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.955 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.0 t -75.86 154.42 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 10.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 10.0 109.317 179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.302 -0.629 . . . . 10.0 109.302 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.17 169.81 16.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 10.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -108.21 161.57 14.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 10.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 13.5 t -145.01 150.08 36.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.405 1.065 . . . . 10.0 110.431 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.9 t -138.91 125.85 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 10.0 109.24 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -80.18 120.8 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 10.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.601 ' HE1' HD11 ' A' ' 41' ' ' ILE . 1.2 mtm -62.06 105.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.389 1.056 . . . . 10.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.7 -141.31 15.41 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.447 1.092 . . . . 10.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.31 151.88 39.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.778 . . . . 10.0 109.985 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -57.63 -56.16 25.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 10.0 109.389 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 t -47.77 -52.14 19.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.44 68.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 10.0 110.984 179.949 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 9' ' ' SER . . . -123.25 -174.33 2.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 0.747 . . . . 10.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HG ' ' HB1' ' A' ' 89' ' ' ALA . 4.3 mm? -113.09 -52.31 2.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 10.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.6 m -40.09 139.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 10.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.656 ' CE1' ' CE ' ' A' ' 91' ' ' MET . 17.5 m-85 -81.71 124.7 29.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 10.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 2.5 tt0 -130.27 127.4 22.53 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 10.0 110.263 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.0 Cg_endo -75.0 137.38 50.01 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.016 -2.493 . . . . 10.0 110.949 0.012 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.5 p -61.69 -41.78 98.04 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.417 1.073 . . . . 10.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 55.2 m -116.7 137.83 51.91 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 10.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' ' 18' ' ' PRO . 25.6 m -140.93 159.35 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 10.0 109.211 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.86 138.54 33.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 1.15 . . . . 10.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -137.53 158.16 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 10.0 109.309 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -104.42 156.06 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 10.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.97 93.23 1.72 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.623 1.202 . . . . 10.0 109.259 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 135.81 -28.81 2.92 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.491 1.119 . . . . 10.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -74.52 -179.31 3.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 10.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 71' ' ' SER . 3.3 pt-20 -135.31 178.45 7.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 10.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.728 HG22 ' HB3' ' A' ' 3' ' ' ALA . 1.6 t -129.26 163.72 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 10.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.485 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 4.4 ttmt -130.78 113.99 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 10.0 109.258 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.627 ' CE3' HG12 ' A' ' 29' ' ' VAL . 20.3 m-90 -99.03 99.67 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.591 1.182 . . . . 10.0 107.985 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -88.8 143.33 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.428 1.08 . . . . 10.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.697 ' OD1' ' HB1' ' A' ' 62' ' ' ALA . 1.9 m120 -81.67 126.85 32.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 10.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 7' ' ' MET . 3.1 t30 -100.39 -56.66 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 10.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -177.4 -170.81 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 10.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 36' ' ' LEU . 3.0 mm? 65.72 70.01 0.45 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 10.0 109.357 -179.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.526 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 15.4 p -92.51 149.53 38.34 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 10.0 110.06 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.5 Cg_endo -74.96 -167.35 5.56 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.072 -2.47 . . . . 10.0 110.959 0.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.73 111.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 10.0 109.585 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -113.97 152.37 30.98 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 10.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.6 mt -121.43 70.54 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 10.0 109.32 179.917 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.3 t -82.76 129.11 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 10.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.799 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.8 m-85 -102.55 126.55 49.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.123 . . . . 10.0 111.021 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -86.46 154.26 21.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 10.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -101.99 79.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 10.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -100.14 -65.86 0.94 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 10.0 109.261 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.82 8.89 61.73 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 10.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.509 HG11 ' CE2' ' A' ' 79' ' ' TYR . 7.2 t -131.3 160.21 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 10.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -58.08 159.46 5.77 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.619 1.199 . . . . 10.0 109.247 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.74 -52.69 23.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 10.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-20 -55.38 -61.88 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.578 1.174 . . . . 10.0 109.248 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.574 HG22 ' HE2' ' A' ' 79' ' ' TYR . 15.4 m -43.87 -52.54 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 10.0 110.392 -179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -56.72 -36.55 69.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 10.0 109.354 179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -66.68 -19.12 65.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 10.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.43 -41.52 13.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 10.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.655 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.8 OUTLIER -82.23 -14.61 55.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 10.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 1.6 t -75.01 143.8 43.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 10.0 109.999 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.499 ' CE1' ' CB ' ' A' ' 69' ' ' PHE . 35.4 m-70 -114.1 99.24 7.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 10.0 109.587 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -98.0 40.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 10.0 109.231 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -104.18 -133.05 7.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.551 1.157 . . . . 10.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.62 118.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 10.0 109.287 -179.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.697 ' HB1' ' OD1' ' A' ' 33' ' ' ASN . . . -118.76 148.74 42.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.437 1.086 . . . . 10.0 109.281 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.471 ' CB ' ' HB2' ' A' ' 37' ' ' SER . 12.4 p90 -162.98 -42.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 10.0 111.096 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.9 116.99 24.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.439 1.087 . . . . 10.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -51.51 105.41 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.383 1.052 . . . . 10.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.64 -37.41 0.62 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.471 1.107 . . . . 10.0 111.079 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -83.5 100.18 10.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.375 0.691 . . . . 10.0 110.215 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.1 m -116.85 145.84 43.29 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.523 1.139 . . . . 10.0 110.037 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . 22.0 m-85 -104.54 174.58 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 10.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 29' ' ' VAL . 23.8 m -145.42 148.9 33.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.387 1.054 . . . . 10.0 110.405 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -142.95 138.45 30.12 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 10.0 110.01 -179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.5 m -107.94 125.71 51.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 10.0 110.415 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.711 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 9.3 m-85 -93.65 98.23 11.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 10.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.6 m -89.78 -22.21 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 10.0 110.414 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -103.24 123.66 41.0 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 10.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 82.86 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.387 1.73 . . . . 10.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.51 -151.54 5.57 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.568 1.167 . . . . 10.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 23.1 m -130.32 99.75 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 0.81 . . . . 10.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.711 ' CD1' ' CE2' ' A' ' 73' ' ' PHE . 72.9 m-85 -80.06 147.27 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 10.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.445 HG23 ' HG2' ' A' ' 94' ' ' LYS . 98.2 m -128.48 147.93 50.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.578 1.174 . . . . 10.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.468 ' HB3' ' CG ' ' A' ' 43' ' ' PHE . 24.6 p90 -160.05 174.99 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 10.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.577 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 0.2 OUTLIER -165.45 -169.92 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 10.0 111.008 -179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -107.81 106.87 17.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 10.0 108.314 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -64.08 -52.17 57.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 10.0 110.32 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.0 Cg_endo -75.0 171.6 18.01 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.498 1.788 . . . . 10.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.608 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.4 OUTLIER 56.92 108.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 10.0 109.626 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -94.61 -175.75 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 10.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.587 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 50.67 58.36 9.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 10.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 170.66 101.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 10.0 109.271 179.954 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -87.04 145.27 19.79 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.56 1.163 . . . . 10.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.656 ' CE ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -123.22 -47.03 2.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 0.774 . . . . 10.0 111.031 179.992 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.664 HG12 ' N ' ' A' ' 93' ' ' GLY . 79.6 t 63.29 -103.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 10.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.664 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 60.94 132.36 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.441 1.088 . . . . 10.0 111.011 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.445 ' HG2' HG23 ' A' ' 80' ' ' THR . 78.6 mttt -141.37 162.7 34.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.402 0.707 . . . . 10.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.0 t -116.83 153.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 10.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 97.2 t -134.31 123.37 43.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.506 1.129 . . . . 10.0 109.247 -179.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.505 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -95.0 158.68 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 10.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.567 1.167 . . . . 10.0 109.268 -179.999 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.38 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 2.1 p30 -74.7 148.03 40.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 10.0 109.325 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.609 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -80.19 119.84 23.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 10.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.2 t -118.43 155.02 31.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 10.0 110.417 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.1 t -138.38 152.6 25.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.65 1.219 . . . . 10.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -108.13 113.09 25.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 10.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.681 ' CE ' HD11 ' A' ' 41' ' ' ILE . 7.6 mtt -44.68 128.88 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 10.0 110.972 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.05 -136.1 28.48 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.499 1.124 . . . . 10.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.9 159.38 43.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 0.79 . . . . 10.0 110.015 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -53.31 -48.77 68.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 10.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -60.4 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 10.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.21 79.23 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.119 . . . . 10.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.75 161.88 32.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 0.74 . . . . 10.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' O ' ' CE ' ' A' ' 91' ' ' MET . 3.9 mm? -77.85 -55.01 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 10.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG12 ' C ' ' A' ' 90' ' ' GLY . 12.7 m -58.72 121.38 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 10.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.521 ' CE1' ' HA3' ' A' ' 93' ' ' GLY . 0.5 OUTLIER -74.67 153.65 38.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 10.0 110.989 -179.993 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.3 mp0 -146.87 130.73 8.41 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.163 . . . . 10.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 158.18 99.15 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.018 -2.492 . . . . 10.0 111.045 0.087 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 m -86.94 -29.59 21.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 10.0 110.063 179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.0 m -125.2 128.8 48.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 10.0 110.433 179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 m -130.68 160.47 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 10.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.2 p -89.41 144.54 25.98 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.512 1.133 . . . . 10.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.637 HG23 HG13 ' A' ' 97' ' ' VAL . 0.5 OUTLIER -145.61 158.87 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.092 . . . . 10.0 109.267 179.923 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 mmtt -103.96 156.32 17.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 10.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.86 101.68 2.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 10.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.21 -21.66 6.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 10.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.65 -179.53 4.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 10.0 110.336 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -131.82 176.04 8.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 10.0 110.287 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 2.4 t -131.49 158.65 43.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 10.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.7 OUTLIER -125.49 125.59 43.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 10.0 109.239 179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 17.4 m-90 -113.75 99.59 7.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 108.029 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.4 p -92.95 143.87 10.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.422 1.076 . . . . 10.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -90.48 122.7 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 10.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -91.95 -66.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 10.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.46 -174.71 5.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 10.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.479 HD22 HD22 ' A' ' 14' ' ' LEU . 2.0 mp 63.45 69.57 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 10.0 109.271 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -101.23 159.49 29.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 10.0 110.015 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.6 Cg_endo -74.93 -171.23 9.08 Favored 'Cis proline' 0 C--N 1.359 1.118 0 C-N-CA 121.072 -2.47 . . . . 10.0 111.056 -0.146 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.51 138.3 9.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 10.0 109.612 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' C ' ' CG1' ' A' ' 41' ' ' ILE . 9.2 t30 -127.45 170.92 12.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.681 HD11 ' CE ' ' A' ' 7' ' ' MET . 4.2 mt -149.62 73.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 10.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.7 t -82.67 130.7 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 10.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.6 m-85 -105.52 125.96 51.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 10.0 110.984 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.43 164.68 22.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 10.0 109.331 179.9 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.6 75.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 10.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -98.14 94.56 6.88 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.554 1.159 . . . . 10.0 109.362 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.9 -35.91 3.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.43 1.081 . . . . 10.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.7 t -86.22 160.42 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.562 0.801 . . . . 10.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.55 155.34 12.48 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.502 1.126 . . . . 10.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.66 -55.23 8.11 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 10.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.625 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -46.81 -54.42 9.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 10.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.3 m -51.73 -55.77 17.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.073 . . . . 10.0 110.435 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -51.91 -33.02 35.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 10.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.37 -43.19 95.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 10.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -40.41 77.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.601 1.188 . . . . 10.0 109.21 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.953 HD23 ' HB2' ' A' ' 71' ' ' SER . 9.6 mt -81.97 -3.48 54.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 10.0 109.244 -179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 8.8 t -93.31 130.76 38.94 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 10.0 110.004 179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 6.9 m-70 -95.33 100.91 12.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 10.0 109.564 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.74 -33.4 25.08 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.539 1.149 . . . . 10.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.4 125.17 8.54 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.368 1.043 . . . . 10.0 110.992 179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mp -81.12 154.26 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 10.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.53 51.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.41 1.069 . . . . 10.0 109.393 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 0.6 OUTLIER -124.28 -56.61 1.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 10.0 110.966 -179.862 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.63 126.48 31.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 10.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.18 86.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 10.0 109.225 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.1 -34.42 0.09 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.561 1.163 . . . . 10.0 111.05 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.92 105.41 14.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.372 0.69 . . . . 10.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.2 p -108.5 148.6 30.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 10.0 110.008 -179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -99.44 172.48 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.464 1.103 . . . . 10.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.1 m -145.71 147.58 32.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 10.0 110.343 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.953 ' HB2' HD23 ' A' ' 56' ' ' LEU . 4.5 p -144.82 150.25 36.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 10.0 109.971 -179.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.585 ' O ' HD21 ' A' ' 56' ' ' LEU . 6.9 m -116.74 137.36 52.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.6 1.187 . . . . 10.0 110.338 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.7 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 7.1 m-85 -107.36 98.06 7.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.16 . . . . 10.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.83 -44.85 17.82 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.411 1.069 . . . . 10.0 110.358 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.44 124.1 73.98 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.499 1.124 . . . . 10.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.447 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -74.98 83.5 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.43 1.753 . . . . 10.0 110.977 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.58 -152.88 5.87 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.484 1.115 . . . . 10.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 17.2 m -128.25 104.79 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.79 . . . . 10.0 110.389 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.766 ' CE2' HD13 ' A' ' 56' ' ' LEU . 70.4 m-85 -85.43 156.56 20.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 10.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.5 m -137.37 146.05 44.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 10.0 110.451 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 11.5 p90 -155.29 168.49 26.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 10.0 111.067 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.95 -148.88 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 10.0 110.982 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 8.9 t -151.03 36.98 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.4 1.062 . . . . 10.0 108.342 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 56.94 161.1 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.565 1.166 . . . . 10.0 110.395 -179.886 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 65.18 6.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.449 1.763 . . . . 10.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -85.29 170.95 12.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 10.0 109.605 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.5 ttm-85 -43.84 102.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 10.0 110.354 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.657 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . 130.35 -125.37 4.61 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.475 1.109 . . . . 10.0 111.047 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 165.01 -38.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.588 0.817 . . . . 10.0 109.276 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.426 ' C ' HG12 ' A' ' 15' ' ' VAL . . . -63.07 112.11 4.69 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.134 . . . . 10.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.48 ' CE ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER 179.84 66.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.77 . . . . 10.0 111.014 179.958 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.7 m -102.57 123.45 55.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.404 1.065 . . . . 10.0 109.353 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.521 ' HA3' ' CE1' ' A' ' 16' ' ' PHE . . . -147.22 146.98 17.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.158 . . . . 10.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.69 158.66 43.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 10.0 109.222 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 t -118.14 153.95 20.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 10.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -135.26 122.81 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 10.0 109.375 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.637 HG13 HG23 ' A' ' 23' ' ' ILE . 2.8 t -96.09 99.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 10.0 109.305 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.595 1.185 . . . . 10.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -144.5 172.57 12.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 10.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.68 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -104.19 104.79 14.76 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 10.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.8 t -108.52 160.57 15.8 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 10.0 110.417 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 6' ' ' LYS . 26.4 t -145.38 163.68 11.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 10.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -104.75 125.77 51.16 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.52 1.137 . . . . 10.0 109.318 179.901 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.541 ' SD ' ' CG ' ' A' ' 39' ' ' HIS . 5.5 mtm -61.2 -85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 10.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.26 166.9 54.48 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.479 1.112 . . . . 10.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.5 m -109.89 151.16 27.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 0.735 . . . . 10.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -43.85 -51.06 7.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 10.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.1 m -59.03 -46.17 88.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 10.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.27 60.34 0.39 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.463 1.102 . . . . 10.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -111.35 174.65 5.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.398 0.705 . . . . 10.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.96 52.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 10.0 109.262 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.94 144.61 20.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 10.0 109.346 -179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' A' ' 91' ' ' MET . 63.5 m-85 -78.84 144.22 35.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.112 . . . . 10.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' HA ' ' HA ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -138.38 102.8 7.99 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 10.0 110.334 179.902 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.92 -179.99 28.54 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.0 -2.5 . . . . 10.0 111.085 -0.073 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p -102.96 -26.92 12.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 10.0 110.052 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 m -125.46 125.44 43.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 10.0 110.465 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG11 ' CG2' ' A' ' 5' ' ' VAL . 16.6 m -132.68 140.43 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 10.0 109.23 -179.942 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -87.61 145.08 26.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 10.0 110.374 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.739 HD12 HG23 ' A' ' 29' ' ' VAL . 2.3 tt -145.58 156.41 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 10.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.468 ' N ' HG12 ' A' ' 23' ' ' ILE . 3.2 mmtt -83.97 165.62 18.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 10.0 109.223 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.38 81.4 8.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.637 1.211 . . . . 10.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 153.5 -25.93 0.76 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.483 1.114 . . . . 10.0 110.983 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.44 -178.4 3.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 0.825 . . . . 10.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 1.1 pm0 -124.85 178.77 5.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.606 1.191 . . . . 10.0 110.208 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.739 HG23 HD12 ' A' ' 23' ' ' ILE . 2.7 t -133.67 140.88 45.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 10.0 109.39 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.82 124.32 51.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 10.0 109.237 -179.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.689 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 8.8 m-90 -110.34 102.59 11.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 10.0 108.01 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -87.62 136.24 23.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 10.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -87.04 101.32 13.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 10.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.58 -63.39 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.095 . . . . 10.0 109.346 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.4 -170.57 1.9 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.56 1.162 . . . . 10.0 109.366 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.574 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 7.7 mp 67.44 65.34 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 10.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -96.04 160.32 30.26 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 10.0 110.0 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.11 -172.97 11.54 Favored 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 121.02 -2.492 . . . . 10.0 110.976 0.146 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 10.2 m-70 -145.04 155.73 43.52 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.578 1.173 . . . . 10.0 109.652 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.41 103.12 0.51 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 10.0 109.264 -179.925 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.707 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.6 mt -87.68 86.81 2.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 10.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 31.6 t -84.42 131.41 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 10.0 109.334 -179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.707 ' CE1' HG22 ' A' ' 41' ' ' ILE . 2.9 m-85 -106.86 124.63 49.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.599 1.187 . . . . 10.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.22 158.46 30.29 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 10.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -111.01 75.5 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.419 1.075 . . . . 10.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -97.91 -75.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 10.0 109.296 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.51 13.09 64.87 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 10.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.655 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.3 t -132.13 167.19 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 10.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.37 166.48 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 10.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.62 5.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 10.0 109.285 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.665 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -53.96 -61.82 2.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 10.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.6 m -45.93 -52.04 12.28 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.464 1.103 . . . . 10.0 110.397 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -60.74 -30.43 69.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 10.0 109.263 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -60.52 -59.73 4.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 10.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -57.8 -44.93 86.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 10.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -64.65 -27.84 69.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 10.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ALA . 43.1 t -75.31 128.79 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 110.024 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 9.1 m170 -77.72 102.13 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 10.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.53 33.4 2.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 10.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 61' ' ' LEU . . . -120.61 -158.63 10.54 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.504 1.127 . . . . 10.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 60' ' ' GLY . 4.9 mp -143.58 129.58 19.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 10.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -110.54 117.68 34.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 10.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.409 ' CG ' ' N ' ' A' ' 64' ' ' ALA . 35.5 p90 -133.94 -45.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 10.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 63' ' ' PHE . . . -75.2 118.48 18.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 10.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.06 82.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 10.0 109.234 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . 169.54 -30.4 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 10.0 111.026 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -82.1 116.67 21.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 10.0 110.331 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 81.2 p -123.42 152.16 41.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 10.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 73.8 m-85 -97.59 173.33 7.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 10.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 7.0 m -146.02 146.41 30.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.605 1.191 . . . . 10.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.5 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 7.6 p -145.15 142.69 29.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 10.0 110.046 179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 84.8 m -99.02 134.11 42.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 10.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.968 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.1 m-85 -105.58 97.91 7.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 10.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.5 -47.55 6.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 10.0 110.342 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.89 119.41 75.31 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 10.0 110.352 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.429 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -74.85 61.27 5.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 10.0 111.111 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -122.67 -144.72 6.77 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.526 1.141 . . . . 10.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.4 m -136.96 116.2 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.476 0.751 . . . . 10.0 110.375 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.655 ' CE2' HG11 ' A' ' 48' ' ' VAL . 53.7 m-85 -95.85 150.74 20.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 10.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.7 m -135.99 150.1 49.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.515 1.134 . . . . 10.0 110.446 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.595 ' CE1' ' O ' ' A' ' 93' ' ' GLY . 3.6 p90 -150.04 167.71 25.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 10.0 111.059 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.548 ' CE2' ' HG2' ' A' ' 84' ' ' GLU . 2.9 p90 -170.56 127.58 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 10.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.552 ' CB ' ' ND1' ' A' ' 86' ' ' HIS . 1.6 m -60.61 103.23 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 10.0 108.232 -179.93 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.548 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 0.4 OUTLIER -60.29 -54.54 54.07 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 10.0 110.354 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.05 -65.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.467 1.772 . . . . 10.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.552 ' ND1' ' CB ' ' A' ' 83' ' ' CYS . 0.1 OUTLIER 48.63 -168.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 10.0 109.597 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -151.22 50.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 10.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' ALA . . . -166.46 -87.43 0.07 OUTLIER Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.551 1.157 . . . . 10.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 88' ' ' GLY . . . 175.33 100.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 0.804 . . . . 10.0 109.374 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.72 169.0 10.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 10.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.728 ' C ' HG23 ' A' ' 92' ' ' VAL . 57.9 ttp -141.26 -49.71 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.764 . . . . 10.0 110.98 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.728 HG23 ' C ' ' A' ' 91' ' ' MET . 1.7 t 76.64 -172.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 10.0 109.285 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.717 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 95.61 128.67 5.63 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 10.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.52 166.91 24.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 10.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -126.51 159.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.356 1.035 . . . . 10.0 109.357 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 51.2 t -139.06 115.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 10.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.968 HG22 ' CD2' ' A' ' 73' ' ' PHE . 4.4 t -77.65 140.3 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 10.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' ILE . 6.0 t70 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 10.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.283 -0.636 . . . . 10.0 109.283 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -141.78 172.71 12.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 10.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.993 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -145.06 113.51 6.65 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 10.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -123.77 150.28 44.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 10.0 110.378 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.655 ' CG2' HG11 ' A' ' 21' ' ' VAL . 72.7 t -145.33 121.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 10.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.8 OUTLIER -70.36 114.86 8.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 10.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.492 ' SD ' ' CB ' ' A' ' 33' ' ' ASN . 44.2 mtt -34.68 -83.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 10.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.11 -134.97 6.7 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.467 1.104 . . . . 10.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' HD21 ' A' ' 34' ' ' ASN . 4.3 m -128.73 126.03 39.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 0.741 . . . . 10.0 110.056 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.21 -59.5 2.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 10.0 109.251 -179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.55 -30.82 14.0 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.567 1.167 . . . . 10.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' SER . . . 113.54 86.98 1.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.432 1.083 . . . . 10.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' HB2' ' A' ' 9' ' ' SER . . . -167.38 141.03 3.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 10.0 109.328 179.937 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD11 ' CE1' ' A' ' 86' ' ' HIS . 0.6 OUTLIER -76.96 81.11 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.165 . . . . 10.0 109.238 -179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 16' ' ' PHE . 2.2 t -135.22 174.4 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 10.0 109.368 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.619 ' CE2' ' O ' ' A' ' 92' ' ' VAL . 14.1 p90 -145.04 109.9 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 10.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.8 OUTLIER -145.37 141.19 16.73 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 10.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.866 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.4 Cg_endo -75.08 134.89 37.96 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.037 -2.485 . . . . 10.0 111.019 0.041 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.424 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -51.88 -46.13 64.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 10.0 109.985 -179.957 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 94' ' ' LYS . 1.1 m -116.57 118.92 33.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 10.0 110.437 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.866 HG12 ' HG2' ' A' ' 18' ' ' PRO . 2.9 m -118.84 139.12 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 10.0 109.371 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.68 134.39 33.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 10.0 110.374 -179.888 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.497 HD12 HG23 ' A' ' 29' ' ' VAL . 4.8 tt -139.4 161.92 27.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 10.0 109.365 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 23' ' ' ILE . 2.1 mttt -95.95 164.37 12.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 10.0 109.283 -179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HG11 ' A' ' 97' ' ' VAL . . . -80.82 90.74 5.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 10.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.88 -14.36 4.11 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.552 1.157 . . . . 10.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.472 ' CA ' ' OE1' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -75.0 177.16 6.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.511 0.771 . . . . 10.0 110.278 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.12 165.41 17.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.993 HG22 ' O ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -125.92 161.5 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 10.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -139.55 126.94 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 10.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.612 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 13.6 m-90 -111.35 99.91 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.976 -1.12 . . . . 10.0 107.976 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.5 t -83.97 129.15 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 10.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.492 ' CB ' ' SD ' ' A' ' 7' ' ' MET . 43.1 t30 -88.37 131.17 34.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 10.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.437 HD21 ' N ' ' A' ' 9' ' ' SER . 1.7 p30 -113.51 -34.3 5.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.125 . . . . 10.0 109.235 -179.967 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.05 -166.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 10.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? 64.83 63.1 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 10.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.573 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -104.56 163.71 16.69 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 10.0 109.994 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.573 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.3 Cg_endo -75.0 -60.47 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.914 -2.536 . . . . 10.0 111.015 -0.085 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 65.56 152.19 0.06 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.613 1.196 . . . . 10.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.449 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 2.5 m120 -129.02 178.51 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 10.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.669 HG22 ' CE1' ' A' ' 43' ' ' PHE . 6.0 mt -130.64 59.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 10.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 t -74.74 138.21 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 109.21 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.3 m-85 -108.02 139.91 41.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.44 1.087 . . . . 10.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.96 144.37 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 10.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.31 77.89 1.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 10.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.43 -60.53 1.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.137 . . . . 10.0 109.268 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.08 58.13 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 10.0 111.042 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 49' ' ' ASP . 39.7 t -129.29 167.23 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 10.0 109.27 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.5 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -73.27 152.95 40.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.595 1.185 . . . . 10.0 109.362 179.873 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.63 -55.93 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 10.0 109.339 179.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.754 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 19.6 m-20 -52.62 -56.53 14.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 10.0 109.195 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.0 m -50.77 -51.21 52.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 10.0 110.372 -179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -62.32 -19.48 63.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 10.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -69.99 -34.49 73.41 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.589 1.181 . . . . 10.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.22 -24.67 29.93 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.518 1.136 . . . . 10.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.885 HD12 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -94.2 -8.58 38.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 10.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 13.9 t -90.53 133.49 35.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 10.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 17.4 m-70 -111.58 99.64 8.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 10.0 109.57 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.37 -43.79 3.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.471 1.107 . . . . 10.0 109.226 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.618 ' O ' HD12 ' A' ' 61' ' ' LEU . . . 126.75 153.4 8.3 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.537 1.148 . . . . 10.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER 162.22 42.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 10.0 109.378 179.924 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 38' ' ' PRO . . . -111.04 104.52 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 10.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -138.12 -45.63 0.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 10.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.2 112.04 23.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 10.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.63 156.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 10.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.65 -29.27 9.32 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 10.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.81 117.46 16.67 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.471 0.747 . . . . 10.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.79 132.78 45.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 10.0 109.937 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' HD2' HD12 ' A' ' 41' ' ' ILE . 17.5 m-85 -89.84 174.32 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 10.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.6 m -145.1 151.55 38.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 10.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.41 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . 13.4 t -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.543 1.152 . . . . 10.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.429 ' O ' HD21 ' A' ' 56' ' ' LEU . 20.5 m -110.75 117.74 34.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 10.0 110.415 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.767 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 3.8 m-85 -96.42 99.3 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 10.0 111.048 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.73 -49.98 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 10.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.1 tt0 -80.99 131.69 59.05 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 10.0 110.393 179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 75' ' ' GLU . 18.5 Cg_endo -74.99 83.73 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 10.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -130.83 -149.83 6.64 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.37 1.044 . . . . 10.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -141.46 102.92 4.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 10.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.885 ' CE2' HD12 ' A' ' 56' ' ' LEU . 61.4 m-85 -86.23 154.16 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 10.0 111.027 179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 93' ' ' GLY . 65.5 m -141.15 149.45 41.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 10.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.517 ' CZ ' ' HA3' ' A' ' 93' ' ' GLY . 8.6 p90 -142.96 147.76 35.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.671 1.232 . . . . 10.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' GLU . 31.3 p90 -120.18 -7.65 9.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 10.0 111.057 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.53 ' O ' ' CB ' ' A' ' 84' ' ' GLU . 1.3 t 68.09 -67.64 0.19 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.352 1.032 . . . . 10.0 108.346 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.53 ' CB ' ' O ' ' A' ' 83' ' ' CYS . 4.7 mt-10 159.0 171.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 10.0 110.296 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 54.4 3.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.408 1.741 . . . . 10.0 111.051 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.695 ' CE1' HD11 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -82.03 142.86 31.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 10.0 109.624 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.17 -83.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 10.0 110.271 -179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . 151.25 52.67 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.554 1.159 . . . . 10.0 111.086 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.584 ' HB3' HD23 ' A' ' 14' ' ' LEU . . . -121.25 -59.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 0.778 . . . . 10.0 109.276 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 91' ' ' MET . . . 138.72 -50.41 0.8 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.616 1.197 . . . . 10.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.584 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.0 OUTLIER 37.2 73.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.388 0.699 . . . . 10.0 110.984 179.943 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.619 ' O ' ' CE2' ' A' ' 16' ' ' PHE . 26.6 m -121.44 120.2 61.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 10.0 109.403 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' HA3' ' CZ ' ' A' ' 81' ' ' TYR . . . -117.02 169.78 13.2 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.465 1.103 . . . . 10.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 20' ' ' THR . 0.0 OUTLIER -145.55 120.51 10.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 0.799 . . . . 10.0 109.21 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.3 t -90.03 159.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 10.0 109.399 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.5 t -144.52 123.57 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 10.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.561 HG12 ' H ' ' A' ' 98' ' ' ASP . 3.6 t -90.87 171.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.449 1.093 . . . . 10.0 109.299 179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.561 ' H ' HG12 ' A' ' 97' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.577 1.173 . . . . 10.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.398 -0.593 . . . . 10.0 109.398 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 3' ' ' ALA . 4.7 p-10 -78.17 176.5 9.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 10.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 29' ' ' VAL . . . -79.6 157.03 27.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 10.0 109.36 179.948 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.6 t -146.76 162.62 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 10.0 110.386 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -140.39 144.2 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 10.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.34 150.74 22.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.087 . . . . 10.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.595 ' SD ' HD11 ' A' ' 41' ' ' ILE . 22.3 mtt -85.05 89.53 7.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 10.0 111.087 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.46 -140.43 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.107 . . . . 10.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 m -142.38 144.81 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 10.0 110.038 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -55.6 18.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 10.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.63 -45.6 38.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 10.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 121.3 84.3 0.76 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.564 1.165 . . . . 10.0 111.064 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.12 145.22 23.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 10.0 109.372 -179.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.927 HD11 ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -74.89 60.77 0.98 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 10.0 109.329 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.4 m -148.85 128.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 10.0 109.397 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.569 ' CD2' ' HG2' ' A' ' 91' ' ' MET . 82.6 m-85 -76.24 120.78 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 10.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -131.74 125.66 20.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 10.0 110.282 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.1 Cg_endo -75.11 143.93 79.24 Favored 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.025 -2.489 . . . . 10.0 110.988 0.089 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.9 p -67.62 -47.24 70.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 10.0 109.963 -179.89 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.87 136.85 47.75 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.521 1.138 . . . . 10.0 110.422 179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.8 m -143.01 136.6 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 10.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.66 142.72 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 10.0 110.41 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.806 HG22 ' HA ' ' A' ' 97' ' ' VAL . 0.7 OUTLIER -140.57 -179.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 10.0 109.285 -179.935 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' N ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -120.14 179.17 4.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 10.0 109.31 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.64 82.79 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 10.0 109.257 -179.935 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 143.44 -14.09 2.27 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.447 1.092 . . . . 10.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -74.16 -178.19 3.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 10.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' HG23 ' A' ' 72' ' ' THR . 0.7 OUTLIER -129.25 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 10.0 110.247 179.954 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.777 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 12.4 t -141.27 118.8 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.544 1.153 . . . . 10.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -96.92 139.42 32.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 10.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.777 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 6.7 m-90 -124.7 100.04 6.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.62 1.2 . . . . 10.0 108.03 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.421 HG23 ' OG ' ' A' ' 68' ' ' SER . 9.8 p -88.33 142.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 10.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -83.62 118.22 23.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 10.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -97.63 -57.46 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.512 1.132 . . . . 10.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -172.15 -170.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 10.0 109.231 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp 68.28 70.21 0.31 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 10.0 109.359 -179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.507 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -123.67 161.3 46.93 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 10.0 110.019 -179.972 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CZ ' ' A' ' 63' ' ' PHE . 18.1 Cg_endo -75.04 164.09 89.2 Favored 'Cis proline' 0 C--N 1.361 1.203 0 C-N-CA 120.968 -2.513 . . . . 10.0 110.998 0.077 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' CE1' ' HB3' ' A' ' 7' ' ' MET . 0.9 OUTLIER -176.96 148.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.064 . . . . 10.0 109.658 -179.97 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -133.96 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 10.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.595 HD11 ' SD ' ' A' ' 7' ' ' MET . 1.2 mp -123.33 84.1 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 10.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 27.5 t -84.4 135.29 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.429 1.081 . . . . 10.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 4.9 m-85 -108.71 148.57 30.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 10.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 82' ' ' TYR . . . -103.71 155.03 18.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 10.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' ALA . . . -98.91 77.18 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 10.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -106.24 106.85 17.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 10.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.99 -39.94 3.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.57 1.169 . . . . 10.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 49' ' ' ASP . 40.1 t -85.22 168.34 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.487 0.757 . . . . 10.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -66.62 151.12 47.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 10.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.86 -54.78 25.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 10.0 109.248 -179.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.858 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -49.86 -49.86 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 10.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -51.41 -63.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 10.0 110.389 -179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -53.84 -22.29 9.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 10.0 109.324 179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.858 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -64.34 -50.2 68.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.633 1.208 . . . . 10.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -34.42 76.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 10.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.605 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -82.96 -6.58 59.54 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.478 1.111 . . . . 10.0 109.362 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 3.4 t -94.95 114.69 26.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 10.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 5.2 m170 -82.53 103.1 11.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 10.0 109.627 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -84.39 -32.75 24.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 10.0 109.37 179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.55 131.29 10.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.539 1.149 . . . . 10.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.618 HD13 ' H ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -89.32 179.06 6.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 0.717 . . . . 10.0 109.314 179.942 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -140.43 157.87 44.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 10.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CZ ' ' HB3' ' A' ' 38' ' ' PRO . 22.6 m-85 -133.33 -47.03 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.616 1.197 . . . . 10.0 111.029 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.3 136.84 36.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 10.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.41 77.9 3.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.107 . . . . 10.0 109.344 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.82 -40.27 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 10.0 111.059 179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.83 99.91 3.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.583 0.814 . . . . 10.0 110.222 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.421 ' OG ' HG23 ' A' ' 32' ' ' VAL . 1.4 m -111.56 138.16 48.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 10.0 110.015 179.946 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 57.4 m-85 -92.92 174.34 7.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 10.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -145.59 149.74 35.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.432 1.083 . . . . 10.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.514 ' HG ' ' HZ3' ' A' ' 31' ' ' TRP . 8.9 p -145.42 129.59 17.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 10.0 109.986 179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.46 HG23 ' HG3' ' A' ' 28' ' ' GLU . 90.2 m -90.21 128.8 36.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 1.104 . . . . 10.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.903 ' CD2' HG22 ' A' ' 97' ' ' VAL . 3.3 m-30 -96.4 99.66 11.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 10.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -96.63 -48.47 5.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 10.0 110.348 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.38 119.99 79.2 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 10.0 110.315 179.937 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.548 ' HA ' ' CG1' ' A' ' 97' ' ' VAL . 18.6 Cg_endo -75.03 68.06 5.85 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 10.0 110.962 179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -123.62 -138.55 5.22 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.481 1.113 . . . . 10.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.24 105.32 4.04 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.577 0.81 . . . . 10.0 110.395 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 56' ' ' LEU . 56.6 m-85 -88.88 147.64 24.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 10.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.3 m -142.67 150.07 39.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.597 1.185 . . . . 10.0 110.392 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 42' ' ' VAL . 8.1 p90 -134.85 162.96 30.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 10.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -144.71 77.15 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 10.0 110.975 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' TYR . 53.1 t -41.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.398 1.061 . . . . 10.0 108.34 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 1.1 tt0 -71.16 -51.98 9.76 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 10.0 110.327 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.3 Cg_endo -74.97 92.49 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.545 1.813 . . . . 10.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' CE1' ' HE3' ' A' ' 91' ' ' MET . 2.5 t60 -162.77 -69.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 10.0 109.573 -179.877 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -171.37 -48.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 10.0 110.369 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 106.38 61.31 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.445 1.09 . . . . 10.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.927 ' HB3' HD11 ' A' ' 14' ' ' LEU . . . -114.4 -59.61 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.74 . . . . 10.0 109.365 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 91' ' ' MET . . . -173.37 -92.23 0.08 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.433 1.083 . . . . 10.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.569 ' HG2' ' CD2' ' A' ' 16' ' ' PHE . 0.7 OUTLIER 78.17 -52.46 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 0.773 . . . . 10.0 111.02 -179.984 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.637 HG12 ' N ' ' A' ' 93' ' ' GLY . 77.9 t 54.08 -101.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 10.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.637 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 61.4 119.74 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.412 1.07 . . . . 10.0 111.037 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -144.86 159.05 43.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 10.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.7 t -121.84 156.0 26.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 10.0 109.406 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 23' ' ' ILE . 70.3 t -131.4 131.56 63.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.607 1.192 . . . . 10.0 109.347 -179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.903 HG22 ' CD2' ' A' ' 73' ' ' PHE . 9.7 t -100.88 148.81 6.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.504 1.128 . . . . 10.0 109.239 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 10.0 109.297 -179.995 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.3 -0.63 . . . . 10.0 109.3 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.65 142.82 42.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 10.0 109.275 179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 29' ' ' VAL . . . -140.57 148.05 40.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 10.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 12.2 t -137.38 155.92 48.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 10.0 110.303 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 20.0 t -143.18 138.18 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 10.0 109.211 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -99.07 110.96 23.48 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.533 1.146 . . . . 10.0 109.218 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.59 ' HE1' HD11 ' A' ' 41' ' ' ILE . 10.0 mtt -35.79 -71.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.091 . . . . 10.0 111.064 179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.84 177.17 51.06 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.401 1.063 . . . . 10.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.47 ' OG ' HG23 ' A' ' 15' ' ' VAL . 28.7 m -142.23 131.28 23.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.729 . . . . 10.0 110.041 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 t70 60.0 12.68 3.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 10.0 109.236 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.474 ' HA ' ' CB ' ' A' ' 35' ' ' LYS . 4.8 t 50.26 52.15 15.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 10.0 109.973 179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.427 ' CA ' HD21 ' A' ' 36' ' ' LEU . . . -167.79 -44.79 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 10.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -96.01 146.48 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 10.0 109.327 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tp -104.07 104.77 14.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 10.0 109.244 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' OG ' ' A' ' 9' ' ' SER . 17.2 m -148.78 -170.19 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 10.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 16' ' ' PHE . 1.2 p90 -145.07 111.11 5.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 10.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -143.06 141.96 20.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 10.0 110.308 -179.943 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.95 133.68 32.49 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.048 -2.48 . . . . 10.0 110.971 0.037 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.438 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 91.2 p -38.17 -53.16 1.45 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.473 1.108 . . . . 10.0 110.039 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -114.47 150.89 34.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 10.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.474 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 3.5 m -140.37 161.72 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 10.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.05 138.35 41.39 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.543 1.152 . . . . 10.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.996 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -145.04 162.31 13.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 10.0 109.269 -179.966 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 mmtt -111.95 158.12 19.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 10.0 109.232 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.68 101.75 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 10.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 123.73 -20.24 7.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 10.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -75.0 -179.07 4.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 10.0 110.282 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -137.26 172.31 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 10.0 110.262 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 30' ' ' LYS . 2.3 t -130.93 162.39 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 10.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 5.3 ttmt -128.89 122.89 31.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 109.328 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.415 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 21.2 m-90 -108.24 99.81 9.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.965 -1.124 . . . . 10.0 107.965 -179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -88.88 144.11 9.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.57 1.169 . . . . 10.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -86.01 136.91 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.095 . . . . 10.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.66 -54.81 2.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 10.0 109.306 179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' CB ' ' HA ' ' A' ' 11' ' ' SER . 1.1 tttm -178.8 -170.19 0.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.432 1.083 . . . . 10.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' N ' ' A' ' 36' ' ' LEU . 2.0 mm? 64.18 55.34 1.49 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 10.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.513 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -86.42 161.24 49.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 10.0 109.975 -179.959 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.513 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.1 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.975 -2.51 . . . . 10.0 110.978 -0.014 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.27 130.08 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 10.0 109.645 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.472 HD21 HD12 ' A' ' 61' ' ' LEU . 0.9 OUTLIER -129.64 123.75 32.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 10.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.641 HG22 ' CE1' ' A' ' 43' ' ' PHE . 1.2 mt -99.0 67.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 10.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 38.3 t -78.56 137.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.625 1.203 . . . . 10.0 109.394 179.958 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.641 ' CE1' HG22 ' A' ' 41' ' ' ILE . 5.9 m-85 -110.96 134.12 52.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 10.0 110.987 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.777 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . . . -87.36 163.86 16.56 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.489 1.118 . . . . 10.0 109.238 -179.938 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.69 75.2 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.415 1.072 . . . . 10.0 109.372 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -91.67 -81.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 10.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.71 86.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.504 1.128 . . . . 10.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -121.77 158.4 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 10.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.04 166.82 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.606 1.192 . . . . 10.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.55 -56.11 5.01 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 10.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -51.62 -54.77 24.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 10.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 m -51.73 -41.86 61.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 10.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -64.67 -33.37 75.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 10.0 109.303 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.98 -24.79 64.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 10.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -33.8 24.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 10.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.815 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -91.32 -9.01 46.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 10.0 109.353 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 53' ' ' ALA . 13.3 t -82.89 138.19 33.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 10.0 109.894 -179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.542 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 11.8 m-70 -100.09 99.93 10.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 10.0 109.633 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.32 38.17 2.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.233 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.91 -42.58 1.52 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.53 1.144 . . . . 10.0 110.982 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.485 HD22 ' CE2' ' A' ' 63' ' ' PHE . 4.1 tt 80.82 135.34 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.555 0.797 . . . . 10.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -114.63 135.4 54.18 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.472 1.108 . . . . 10.0 109.278 -179.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.485 ' CE2' HD22 ' A' ' 61' ' ' LEU . 9.4 m-85 -118.06 -67.41 0.99 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 10.0 110.995 -179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.22 162.18 28.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.61 1.193 . . . . 10.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -96.16 92.66 6.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 10.0 109.376 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.5 -32.48 0.12 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.129 . . . . 10.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -84.16 124.1 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 10.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.8 p -123.8 161.85 24.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 10.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.474 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 35.4 m-85 -117.65 174.05 6.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 10.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.2 m -145.78 149.46 34.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.565 1.166 . . . . 10.0 110.418 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' GLU . 0.9 OUTLIER -145.34 130.11 18.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 10.0 109.99 179.96 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HD21 ' A' ' 56' ' ' LEU . 31.8 m -99.36 116.59 31.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 10.0 110.322 -179.881 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.746 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -81.65 99.07 8.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 10.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.78 -17.32 31.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 10.0 110.43 -179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -110.66 123.71 34.94 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.44 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.1 Cg_endo -75.05 87.26 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 10.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -145.94 -152.22 5.59 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.526 1.141 . . . . 10.0 110.953 -179.954 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 19.6 m -127.58 100.72 6.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 10.0 110.351 -179.928 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.815 ' CD2' HD12 ' A' ' 56' ' ' LEU . 68.2 m-85 -81.32 138.35 35.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 10.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.9 m -120.12 139.73 52.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 10.0 110.479 179.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 34.9 p90 -139.46 153.77 47.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 10.0 111.018 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.777 ' OH ' ' HB2' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -161.25 166.32 27.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 10.0 111.02 -179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.688 ' CB ' ' CE1' ' A' ' 86' ' ' HIS . 1.8 m -103.51 -172.21 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 10.0 108.342 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.581 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -172.77 -60.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 10.0 110.319 -179.957 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.581 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -75.06 52.71 3.15 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 10.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.688 ' CE1' ' CB ' ' A' ' 83' ' ' CYS . 0.3 OUTLIER -162.65 -172.35 3.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 10.0 109.573 -179.97 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.53 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -62.54 145.78 53.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 10.0 110.201 -179.868 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 76.57 -144.39 30.34 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.504 1.127 . . . . 10.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.53 -73.65 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 0.755 . . . . 10.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.88 150.37 10.71 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 10.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -66.48 154.98 38.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 10.0 110.993 -179.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.5 t -108.94 -20.29 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 10.0 109.297 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -38.34 142.1 0.37 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.645 1.215 . . . . 10.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.76 170.6 15.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 10.0 109.293 -179.96 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 96' ' ' VAL . 22.0 t -114.93 162.97 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 10.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.412 ' N ' HG12 ' A' ' 95' ' ' VAL . 46.4 t -141.91 122.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 10.0 109.319 179.884 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.996 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.9 t -109.84 110.09 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 10.0 109.227 -179.937 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 10.0 109.37 179.918 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.351 -0.611 . . . . 10.0 109.351 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.44 172.58 12.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 10.0 109.352 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.722 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -112.57 119.65 38.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 10.0 109.344 179.927 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -115.2 150.05 36.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 10.0 110.36 -179.951 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.963 HG11 ' CD1' ' A' ' 16' ' ' PHE . 49.1 t -132.96 152.17 35.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 10.0 109.231 -179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -96.86 96.65 8.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 10.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.649 ' SD ' HD11 ' A' ' 41' ' ' ILE . 11.4 mtt -34.47 -49.71 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 10.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -117.18 173.07 14.55 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 10.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' OG ' HG22 ' A' ' 15' ' ' VAL . 14.9 m -94.96 140.95 29.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 0.783 . . . . 10.0 109.975 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.6 -46.05 19.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 10.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.9 t -52.22 -70.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 10.0 110.073 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.83 58.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.108 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -130.9 -175.63 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 0.723 . . . . 10.0 109.34 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.868 HD12 ' CD2' ' A' ' 86' ' ' HIS . 0.5 OUTLIER -136.23 64.91 1.54 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 10.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG22 ' OG ' ' A' ' 9' ' ' SER . 24.6 m -121.32 137.89 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 10.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.963 ' CD1' HG11 ' A' ' 5' ' ' VAL . 71.3 t80 -92.26 106.23 18.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 10.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.7 tp10 -126.15 137.03 29.39 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 10.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.92 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.06 141.08 70.65 Favored 'Cis proline' 0 C--N 1.361 1.213 0 C-N-CA 120.955 -2.519 . . . . 10.0 110.996 0.025 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.5 t -42.07 -50.03 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 10.0 109.984 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.3 m -119.69 125.35 48.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 10.0 110.375 179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.92 HG12 ' HG2' ' A' ' 18' ' ' PRO . 4.5 m -119.5 141.98 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 10.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.95 132.85 34.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.181 . . . . 10.0 110.442 -179.99 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.778 ' CG2' HG22 ' A' ' 97' ' ' VAL . 0.0 OUTLIER -128.19 164.1 30.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 10.0 109.287 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' HB2' ' CG ' ' A' ' 27' ' ' GLU . 22.1 mtmt -109.6 156.34 20.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 10.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.85 93.18 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 10.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 134.41 -27.3 3.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.441 1.088 . . . . 10.0 111.066 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' CG ' ' HB2' ' A' ' 24' ' ' LYS . 76.9 mm-40 -73.95 -179.56 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 10.0 110.367 179.9 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.533 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.1 pm0 -134.5 175.65 9.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 10.0 110.298 -179.981 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.722 HG22 ' O ' ' A' ' 3' ' ' ALA . 2.0 t -132.3 132.11 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 10.0 109.239 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -95.29 130.62 41.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.521 1.138 . . . . 10.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.55 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 15.4 m-90 -114.8 100.23 8.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 10.0 107.988 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.0 t -87.7 137.57 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.409 1.068 . . . . 10.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 57.6 t30 -86.37 100.43 12.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 10.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.64 -71.21 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 10.0 109.244 -179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -170.29 -172.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 10.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp 65.13 65.85 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 10.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.506 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -81.52 161.51 61.56 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 10.0 109.974 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 37' ' ' SER . 18.2 Cg_endo -74.96 -172.97 11.49 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.999 -2.501 . . . . 10.0 110.983 -0.016 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -151.61 114.27 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 10.0 109.561 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -119.07 142.45 47.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 1.085 . . . . 10.0 109.295 179.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.677 HG22 ' CE1' ' A' ' 43' ' ' PHE . 8.0 mt -126.11 71.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 10.0 109.355 179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.06 137.24 22.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 10.0 109.237 -179.904 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.677 ' CE1' HG22 ' A' ' 41' ' ' ILE . 6.2 m-85 -108.46 127.09 53.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 10.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.44 175.24 7.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 10.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.95 70.49 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 10.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -95.99 70.17 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.374 1.047 . . . . 10.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.26 -20.12 41.09 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 10.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' CE2' ' A' ' 79' ' ' TYR . 2.0 t -101.32 152.2 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 10.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.21 149.32 33.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 10.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -57.7 -60.78 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 10.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.03 -58.0 3.47 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 10.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.5 m -50.64 -37.92 43.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 10.0 110.395 179.966 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -66.89 -31.04 71.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.72 -20.79 62.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 10.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -38.24 17.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 10.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.841 HD12 ' CD2' ' A' ' 79' ' ' TYR . 0.6 OUTLIER -88.61 -9.74 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 10.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 6.3 t -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 10.0 110.045 179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.53 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 13.2 m-70 -103.89 99.47 9.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 10.0 109.621 179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.04 34.0 2.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 10.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -105.24 -147.01 15.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 10.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.52 119.7 1.23 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.509 0.77 . . . . 10.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HB1' ' HB2' ' A' ' 33' ' ' ASN . . . -97.92 129.39 44.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 10.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -123.11 -70.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 10.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.11 142.27 39.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 10.0 109.242 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.12 80.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 10.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.34 -38.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 10.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.48 102.17 8.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 10.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 p -111.39 149.03 31.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 10.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.422 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . 22.9 m-85 -100.78 170.07 8.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 10.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -146.63 141.48 26.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 10.0 110.405 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.48 ' HG ' ' HH2' ' A' ' 31' ' ' TRP . 5.4 p -137.62 127.52 25.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 10.0 110.038 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.545 ' O ' HD21 ' A' ' 56' ' ' LEU . 27.5 m -95.2 132.41 40.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 10.0 110.398 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 6.8 m-85 -100.0 98.36 9.12 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 10.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.57 -42.01 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 10.0 110.448 179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.62 125.09 60.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 10.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 89.42 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.569 1.826 . . . . 10.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -140.83 -142.8 4.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 10.0 111.069 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 4.7 m -137.85 106.49 5.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 0.766 . . . . 10.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.841 ' CD2' HD12 ' A' ' 56' ' ' LEU . 77.4 m-85 -90.51 138.97 31.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 10.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.7 m -126.9 145.07 50.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 10.0 110.351 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.608 ' OH ' ' CE2' ' A' ' 16' ' ' PHE . 9.9 p90 -146.19 -179.52 6.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.417 1.073 . . . . 10.0 110.975 179.914 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 82' ' ' TYR . 5.2 p90 -164.28 140.12 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 10.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 10.7 t -97.64 24.98 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 10.0 108.312 179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.48 171.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 10.0 110.357 -179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 61.0 5.52 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.502 1.791 . . . . 10.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.868 ' CD2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.83 76.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.171 . . . . 10.0 109.582 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' GLY . 1.5 mpt_? 65.91 -70.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 10.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.726 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . -36.67 -89.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.538 1.149 . . . . 10.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -172.12 -68.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 0.733 . . . . 10.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -166.76 104.21 0.22 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.544 1.152 . . . . 10.0 111.001 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.52 ' O ' HG12 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -48.62 -28.79 3.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.743 . . . . 10.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.809 HG22 ' H ' ' A' ' 93' ' ' GLY . 2.9 p 44.11 -165.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 10.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.809 ' H ' HG22 ' A' ' 92' ' ' VAL . . . 107.38 139.77 9.3 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.117 . . . . 10.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.23 156.1 44.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 10.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 t -108.11 152.13 10.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 10.0 109.248 -179.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.88 121.67 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 10.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.778 HG22 ' CG2' ' A' ' 23' ' ' ILE . 2.7 t -95.69 135.63 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 10.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 10.0 109.364 179.923 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' H2 ' ' N ' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.623 . . . . 10.0 109.319 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.63 132.38 41.69 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.449 1.093 . . . . 10.0 109.361 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.34 163.1 33.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.073 . . . . 10.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 30' ' ' LYS . 14.8 t -144.35 166.84 23.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 10.0 110.36 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.7 t -144.79 156.59 14.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 10.0 109.356 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -115.99 132.22 56.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 10.0 109.256 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HB3' ' CD2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -75.2 86.89 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 10.0 111.02 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 114.69 178.14 18.91 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.123 . . . . 10.0 111.061 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -111.51 159.99 17.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 0.789 . . . . 10.0 109.981 -179.974 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -54.24 46.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 10.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -61.49 1.37 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.382 1.052 . . . . 10.0 109.952 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.88 47.15 0.05 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.537 1.148 . . . . 10.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -122.64 151.3 41.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 10.0 109.344 179.9 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.625 ' O ' HG13 ' A' ' 15' ' ' VAL . 1.1 pp -82.99 91.59 7.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 10.0 109.331 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 14' ' ' LEU . 15.1 m -157.95 127.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 10.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' ' SD ' ' A' ' 91' ' ' MET . 36.9 m-85 -80.19 117.93 21.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 10.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.1 tp10 -135.86 131.77 19.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 10.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' HG2' ' CG1' ' A' ' 21' ' ' VAL . 18.2 Cg_endo -75.01 134.08 34.3 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 10.0 111.011 -0.012 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.41 ' N ' ' HA ' ' A' ' 17' ' ' GLU . 70.1 p -53.83 -53.75 48.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 10.0 110.052 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.5 m -104.08 140.18 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 10.0 110.454 -179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.505 ' CG1' ' HG2' ' A' ' 18' ' ' PRO . 2.4 m -143.55 162.46 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 10.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -98.38 142.69 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 10.0 110.396 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.932 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -145.51 159.43 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 10.0 109.307 179.915 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.932 ' H ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -115.4 166.89 11.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 10.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.99 134.43 43.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 10.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.66 -19.2 34.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.558 1.161 . . . . 10.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -74.99 -179.25 4.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 0.795 . . . . 10.0 110.262 -179.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' CB ' ' O ' ' A' ' 71' ' ' SER . 2.1 pm0 -138.57 170.78 15.4 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 10.0 110.268 179.983 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.898 ' O ' HG23 ' A' ' 70' ' ' THR . 2.4 t -128.87 162.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 10.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' N ' ' CG1' ' A' ' 29' ' ' VAL . 2.7 ttmm -126.18 131.68 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 10.0 109.257 -179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.587 ' CZ3' HG12 ' A' ' 29' ' ' VAL . 24.1 m-90 -118.53 99.74 7.01 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.078 -1.082 . . . . 10.0 108.078 179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.45 ' CG2' ' HD3' ' A' ' 30' ' ' LYS . 54.1 t -93.01 139.78 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 10.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -84.06 138.63 32.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.399 1.062 . . . . 10.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -108.93 -61.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 10.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 -177.67 3.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.272 -179.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 14' ' ' LEU . 1.2 mp 75.63 70.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 10.0 109.258 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HA ' ' C ' ' A' ' 38' ' ' PRO . 58.6 p -96.54 151.27 37.88 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 10.0 109.993 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 37' ' ' SER . 18.6 Cg_endo -74.94 -173.7 12.76 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.023 -2.491 . . . . 10.0 110.99 -0.011 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -155.33 148.62 24.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 10.0 109.669 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' ND2' ' CG2' ' A' ' 42' ' ' VAL . 14.1 t-20 -146.54 154.87 42.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.449 1.093 . . . . 10.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 43' ' ' PHE . 9.9 mt -131.51 61.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 10.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.444 ' CG2' ' ND2' ' A' ' 40' ' ' ASN . 54.5 t -74.83 134.82 28.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 10.0 109.26 179.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 41' ' ' ILE . 4.9 m-85 -104.4 142.45 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 10.0 111.029 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.31 152.81 20.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.459 1.099 . . . . 10.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.29 76.76 4.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.396 1.06 . . . . 10.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -105.27 98.88 8.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 10.0 109.245 -179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.32 -20.93 27.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.565 1.166 . . . . 10.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.94 154.21 7.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.754 . . . . 10.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -51.02 156.13 1.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 10.0 109.249 179.941 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.7 -49.79 19.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 10.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.713 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -51.68 -64.21 0.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.459 1.099 . . . . 10.0 109.278 -179.95 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -43.42 -58.44 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 10.0 110.369 -180.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 57' ' ' SER . . . -52.16 -37.98 56.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 10.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.713 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -53.77 -52.88 58.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 10.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.69 -45.61 89.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 10.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.941 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -70.11 -12.53 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 10.0 109.332 179.958 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -80.01 121.91 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 10.0 109.906 -179.947 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 69' ' ' PHE . 12.5 m170 -74.43 103.15 4.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.603 1.189 . . . . 10.0 109.664 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.74 40.08 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.612 1.195 . . . . 10.0 109.316 -179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -116.79 -36.65 1.04 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.608 1.192 . . . . 10.0 111.039 179.912 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 72.45 124.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 10.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . . . -126.16 129.43 49.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 10.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 63' ' ' PHE . 3.5 p90 -132.69 -43.52 0.91 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.558 1.161 . . . . 10.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.74 113.64 18.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 10.0 109.273 179.938 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.45 126.23 9.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 10.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.42 -44.55 1.16 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.511 1.132 . . . . 10.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.87 121.28 22.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 0.807 . . . . 10.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 m -130.48 135.08 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 10.0 109.952 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 62' ' ' ALA . 62.4 m-85 -98.59 175.98 5.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 10.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.898 HG23 ' O ' ' A' ' 29' ' ' VAL . 88.1 m -145.58 152.31 39.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 10.0 110.395 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.674 ' HB3' HD23 ' A' ' 56' ' ' LEU . 16.5 m -130.36 164.1 25.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 10.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.609 ' O ' HD11 ' A' ' 56' ' ' LEU . 1.7 m -133.0 123.05 25.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 10.0 110.455 179.96 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.782 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.3 m-85 -103.37 98.54 8.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 10.0 110.977 -179.945 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -76.8 -52.85 8.78 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.509 1.131 . . . . 10.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.4 mt-10 -88.93 132.5 37.98 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.522 1.139 . . . . 10.0 110.275 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.468 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.5 Cg_endo -75.0 98.31 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 10.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.06 -139.49 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.536 1.147 . . . . 10.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 m -145.42 102.12 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 10.0 110.448 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.941 ' CE2' HD13 ' A' ' 56' ' ' LEU . 43.0 m-85 -85.61 157.27 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 10.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 43' ' ' PHE . 63.2 m -134.57 145.79 49.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 10.0 110.369 -179.946 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.434 ' C ' ' CD1' ' A' ' 81' ' ' TYR . 7.4 p90 -147.04 167.96 22.76 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.355 1.034 . . . . 10.0 111.024 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' CE2' ' HG3' ' A' ' 84' ' ' GLU . 6.7 p90 -163.15 -164.57 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 10.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.76 103.26 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 10.0 108.275 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' A' ' 85' ' ' PRO . 2.3 mt-10 -65.04 -51.23 57.14 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 10.0 110.327 179.933 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 84' ' ' GLU . 18.2 Cg_endo -74.95 -88.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.464 1.771 . . . . 10.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 88' ' ' GLY . 0.1 OUTLIER -39.59 118.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 10.0 109.561 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -39.49 96.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.673 1.233 . . . . 10.0 110.34 179.913 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -38.08 -69.85 0.32 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.534 1.146 . . . . 10.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 41.36 39.57 1.04 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.509 0.77 . . . . 10.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 133.16 -129.35 5.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.45 1.093 . . . . 10.0 111.067 -179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.558 ' SD ' ' CE2' ' A' ' 16' ' ' PHE . 2.1 mtt 37.82 73.1 0.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.42 0.717 . . . . 10.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 93' ' ' GLY . 78.4 t -81.91 -90.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 10.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' HG12 ' A' ' 92' ' ' VAL . . . 59.93 125.02 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.585 1.178 . . . . 10.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -136.86 156.55 48.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 10.0 109.197 -179.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.424 ' HB ' ' CE2' ' A' ' 73' ' ' PHE . 0.4 OUTLIER -104.21 146.87 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.62 1.2 . . . . 10.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.5 t -132.24 132.77 60.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 10.0 109.233 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.633 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.5 t -103.86 169.6 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 10.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' H ' HG12 ' A' ' 97' ' ' VAL . 24.7 t70 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.082 . . . . 10.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.266 -0.642 . . . . 10.0 109.266 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 2' ' ' ASN . 2.0 p30 -75.46 140.78 43.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 10.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.77 150.85 19.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.383 1.052 . . . . 10.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 145.89 45.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 10.0 110.408 -179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.684 ' CG1' ' CD1' ' A' ' 16' ' ' PHE . 12.1 t -137.78 128.62 38.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 10.0 109.363 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 144.5 27.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.646 1.216 . . . . 10.0 109.242 -179.884 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.558 ' HA ' ' CE1' ' A' ' 16' ' ' PHE . 0.1 OUTLIER -76.92 75.4 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 10.0 110.982 -179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.83 -140.26 11.62 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.543 1.152 . . . . 10.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -144.73 151.02 38.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 0.791 . . . . 10.0 110.063 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -45.14 63.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.441 1.088 . . . . 10.0 109.242 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.8 m -60.45 -63.26 1.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 10.0 109.986 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.99 61.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.465 1.103 . . . . 10.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 36' ' ' LEU . . . -118.63 -173.42 2.47 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.478 0.752 . . . . 10.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 90' ' ' GLY . 2.1 pp -114.14 -48.3 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 10.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -44.69 134.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 10.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.684 ' CD1' ' CG1' ' A' ' 5' ' ' VAL . 0.8 OUTLIER -75.35 139.95 42.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 10.0 110.985 179.974 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -144.72 127.65 8.44 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 10.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.577 ' HG2' HG12 ' A' ' 21' ' ' VAL . 18.3 Cg_endo -74.99 134.02 34.06 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.066 -2.473 . . . . 10.0 110.997 -0.064 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.456 1.098 . . . . 10.0 110.07 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.8 m -107.98 140.26 41.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 10.0 110.445 179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.577 HG12 ' HG2' ' A' ' 18' ' ' PRO . 10.6 m -138.01 150.17 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 10.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.87 143.25 27.23 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.572 1.17 . . . . 10.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.9 HD13 ' H ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER -138.78 152.88 24.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 10.0 109.204 -179.905 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.9 ' H ' HD13 ' A' ' 23' ' ' ILE . 5.2 mttt -105.14 141.11 37.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 10.0 109.322 179.906 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.5 95.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 10.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 73' ' ' PHE . . . 124.75 -16.99 7.32 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.564 1.165 . . . . 10.0 111.009 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.607 ' O ' HG23 ' A' ' 72' ' ' THR . 1.1 mm-40 -75.32 -179.76 4.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 0.782 . . . . 10.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' SER . 1.5 mt-10 -125.51 171.79 10.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 10.0 110.287 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.69 HG11 ' CZ2' ' A' ' 31' ' ' TRP . 3.9 t -141.55 135.29 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 10.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -104.89 131.68 52.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 10.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.69 ' CZ2' HG11 ' A' ' 29' ' ' VAL . 14.7 m-90 -116.97 99.2 6.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 10.0 107.997 179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.99 147.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 10.0 109.209 -179.911 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -84.09 125.8 32.47 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.124 . . . . 10.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.31 -62.09 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 10.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.41 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 0.1 OUTLIER 179.95 -172.59 0.2 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.525 1.141 . . . . 10.0 109.381 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.65 HD22 ' O ' ' A' ' 13' ' ' ALA . 11.0 mp 66.01 45.05 2.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 10.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.522 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -49.97 162.04 0.51 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 10.0 110.056 179.983 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 63' ' ' PHE . 18.3 Cg_endo -74.89 -47.52 0.31 Allowed 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.028 -2.488 . . . . 10.0 111.028 -0.162 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.494 ' CE1' ' O ' ' A' ' 36' ' ' LEU . 1.7 m-70 69.38 100.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 10.0 109.589 179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 60' ' ' GLY . 2.9 m120 -106.02 171.09 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 10.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.864 HG22 ' CE1' ' A' ' 43' ' ' PHE . 2.1 mt -125.97 57.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 10.0 109.349 179.871 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 61.7 t -77.09 135.3 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 10.0 109.368 179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.864 ' CE1' HG22 ' A' ' 41' ' ' ILE . 8.4 m-85 -109.64 135.47 50.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 10.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.99 152.64 18.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 10.0 109.206 -179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.58 72.66 5.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 10.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -99.86 101.44 12.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.345 1.028 . . . . 10.0 109.306 179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.65 -40.85 3.07 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.546 1.154 . . . . 10.0 110.971 179.919 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 49' ' ' ASP . 22.6 t -83.42 165.13 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 10.0 109.386 179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 48' ' ' VAL . 3.8 m-20 -63.21 156.84 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 10.0 109.199 -179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.82 -56.5 5.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 10.0 109.237 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.692 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -44.8 -59.94 2.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 10.0 109.257 -179.945 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -48.53 -50.45 31.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 10.0 110.349 -179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' SER . . . -59.34 -29.44 67.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 10.0 109.307 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 51' ' ' ASP . . . -61.23 -51.7 67.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 10.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -46.17 87.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 10.0 109.253 -179.95 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.004 HD13 ' CE2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -71.76 -11.26 60.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 10.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t -86.62 135.34 33.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 10.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.491 ' CE1' ' HB3' ' A' ' 69' ' ' PHE . 35.3 m-70 -109.32 100.1 9.26 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 10.0 109.563 -179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -94.3 39.75 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.594 1.184 . . . . 10.0 109.355 179.907 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 40' ' ' ASN . . . -121.1 139.23 13.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.449 1.093 . . . . 10.0 110.99 -179.934 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -89.46 130.52 35.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 10.0 109.261 -179.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -106.87 155.33 19.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 10.0 109.302 179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.557 ' CE2' ' HB3' ' A' ' 38' ' ' PRO . 23.6 m-85 -156.71 -51.68 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 10.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLY . . . -74.54 121.22 21.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.105 . . . . 10.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.51 74.05 0.15 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 10.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' ALA . . . -171.94 -39.62 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.497 1.123 . . . . 10.0 111.043 179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.31 99.9 4.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 0.729 . . . . 10.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.9 p -109.34 150.6 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 10.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . 35.5 m-85 -107.63 174.45 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.119 . . . . 10.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 85.1 m -145.33 152.92 40.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 10.0 110.449 -179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' HD23 ' A' ' 56' ' ' LEU . 3.4 p -144.5 -179.92 6.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 10.0 109.964 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' GLU . 20.5 m -146.56 144.64 29.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 10.0 110.354 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.761 ' CE2' ' CD1' ' A' ' 79' ' ' TYR . 5.0 m-85 -115.1 98.42 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 10.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.73 -46.88 16.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 10.0 110.427 -179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 126.44 68.47 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 10.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.484 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 18.3 Cg_endo -75.0 84.4 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 10.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.49 -144.12 4.68 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.482 1.114 . . . . 10.0 110.967 -179.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.8 m -138.91 109.96 6.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 10.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 1.004 ' CE2' HD13 ' A' ' 56' ' ' LEU . 52.5 m-85 -90.94 160.93 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 10.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.4 m -141.96 150.3 41.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.556 1.16 . . . . 10.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 24.2 p90 -144.62 157.78 44.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 10.0 111.051 179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 82' ' ' TYR . 2.0 p90 -167.41 117.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 10.0 110.978 -179.948 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.413 ' SG ' ' O ' ' A' ' 40' ' ' ASN . 35.1 m -49.59 131.35 21.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 10.0 108.254 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.484 ' CB ' ' HD3' ' A' ' 85' ' ' PRO . 0.0 OUTLIER -63.5 -56.48 26.19 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 10.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 84' ' ' GLU . 18.1 Cg_endo -75.0 -80.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 10.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.563 ' CE1' ' SD ' ' A' ' 91' ' ' MET . 1.3 t60 66.81 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 10.0 109.644 -179.93 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER 85.72 63.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 10.0 110.345 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 177.17 -34.19 0.08 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.556 1.16 . . . . 10.0 111.028 179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 64.16 96.96 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 10.0 109.411 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.469 ' O ' ' CD1' ' A' ' 14' ' ' LEU . . . 134.55 93.25 0.45 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.473 1.108 . . . . 10.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.563 ' SD ' ' CE1' ' A' ' 86' ' ' HIS . 38.5 ttp -127.41 -54.66 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.782 . . . . 10.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.475 HG12 ' H ' ' A' ' 93' ' ' GLY . 7.1 t 71.98 169.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 10.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.475 ' H ' HG12 ' A' ' 92' ' ' VAL . . . 119.19 121.66 3.01 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.602 1.189 . . . . 10.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -144.91 164.35 31.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 0.801 . . . . 10.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.7 t -112.19 157.09 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 10.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 44.5 t -139.48 127.78 27.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 10.0 109.426 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' A' ' 23' ' ' ILE . 2.4 t -94.97 118.15 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 10.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.458 1.098 . . . . 10.0 109.293 -179.988 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_